===================================================== Content of ZIP archive hexane-01.zip ===================================================== Archive: hexane-01.zip Length Date Time Name --------- ---------- ----- ---- 0 08-01-2018 10:44 hexane/ 0 08-01-2018 10:42 hexane/AA_rdfs/ 6243 08-01-2018 10:42 hexane/AA_rdfs/1-site.ndx 35866 08-01-2018 10:42 hexane/AA_rdfs/3-site.ndx 109321 08-01-2018 10:42 hexane/AA_rdfs/6-site.ndx 92939 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_1.NPT.agr 70283 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_1.NPT.png 92969 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_1.NVT.agr 65582 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_1.NVT.png 93114 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_3.NVT.CMCM.agr 66086 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_3.NVT.CMCM.png 93452 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_3.NVT.CTCM.agr 69340 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_3.NVT.CTCM.png 93724 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_3.NVT.CTCT.agr 73115 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_3.NVT.CTCT.png 94070 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_6.NVT.CICI.agr 71667 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_6.NVT.CICI.png 94080 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_6.NVT.CICM.agr 67811 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_6.NVT.CICM.png 93997 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_6.NVT.CMCM.agr 65829 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_6.NVT.CMCM.png 94165 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_6.NVT.CTCI.agr 67760 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_6.NVT.CTCI.png 94130 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_6.NVT.CTCM.agr 66329 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_6.NVT.CTCM.png 94100 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_6.NVT.CTCT.agr 72494 08-01-2018 10:42 hexane/AA_rdfs/comp_rdfs_6.NVT.CTCT.png 24636 08-01-2018 10:42 hexane/AA_rdfs/gen_all_rdfs.sh 745 08-01-2018 10:42 hexane/AA_rdfs/gen_plot.bat 9800 08-01-2018 10:42 hexane/AA_rdfs/make_1site_ndx 1129 08-01-2018 10:42 hexane/AA_rdfs/make_1site_ndx.cpp 10728 08-01-2018 10:42 hexane/AA_rdfs/make_3site_ndx 2646 08-01-2018 10:42 hexane/AA_rdfs/make_3site_ndx.cpp 14752 08-01-2018 10:42 hexane/AA_rdfs/make_6site_ndx 5978 08-01-2018 10:42 hexane/AA_rdfs/make_6site_ndx.cpp 22348 08-01-2018 10:42 hexane/AA_rdfs/rdf_1.NPT.200.CA-CA.xvg 22327 08-01-2018 10:42 hexane/AA_rdfs/rdf_1.NPT.225.CA-CA.xvg 22347 08-01-2018 10:42 hexane/AA_rdfs/rdf_1.NPT.250.CA-CA.xvg 22350 08-01-2018 10:42 hexane/AA_rdfs/rdf_1.NPT.275.CA-CA.xvg 22344 08-01-2018 10:42 hexane/AA_rdfs/rdf_1.NPT.300.CA-CA.xvg 22359 08-01-2018 10:42 hexane/AA_rdfs/rdf_1.NPT.325.CA-CA.xvg 22346 08-01-2018 10:42 hexane/AA_rdfs/rdf_1.NVT.200.CA-CA.xvg 22342 08-01-2018 10:42 hexane/AA_rdfs/rdf_1.NVT.225.CA-CA.xvg 22342 08-01-2018 10:42 hexane/AA_rdfs/rdf_1.NVT.250.CA-CA.xvg 22336 08-01-2018 10:42 hexane/AA_rdfs/rdf_1.NVT.275.CA-CA.xvg 22348 08-01-2018 10:42 hexane/AA_rdfs/rdf_1.NVT.300.CA-CA.xvg 22349 08-01-2018 10:42 hexane/AA_rdfs/rdf_1.NVT.325.CA-CA.xvg 22332 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.200.CM-CM.xvg 22349 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.200.CT-CM.xvg 22338 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.200.CT-CT.xvg 22342 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.225.CM-CM.xvg 22343 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.225.CT-CM.xvg 22347 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.225.CT-CT.xvg 22316 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.250.CM-CM.xvg 22346 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.250.CT-CM.xvg 22348 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.250.CT-CT.xvg 22348 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.275.CM-CM.xvg 22348 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.275.CT-CM.xvg 22348 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.275.CT-CT.xvg 22337 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.300.CM-CM.xvg 22347 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.300.CT-CM.xvg 22340 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.300.CT-CT.xvg 22316 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.325.CM-CM.xvg 22347 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.325.CT-CM.xvg 22343 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NPT.325.CT-CT.xvg 22347 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.200.CM-CM.xvg 22363 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.200.CT-CM.xvg 22331 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.200.CT-CT.xvg 22341 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.225.CM-CM.xvg 22321 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.225.CT-CM.xvg 22337 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.225.CT-CT.xvg 22342 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.250.CM-CM.xvg 22352 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.250.CT-CM.xvg 22345 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.250.CT-CT.xvg 22348 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.275.CM-CM.xvg 22347 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.275.CT-CM.xvg 22329 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.275.CT-CT.xvg 22316 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.300.CM-CM.xvg 22343 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.300.CT-CM.xvg 22355 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.300.CT-CT.xvg 22350 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.325.CM-CM.xvg 22336 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.325.CT-CM.xvg 22356 08-01-2018 10:42 hexane/AA_rdfs/rdf_3.NVT.325.CT-CT.xvg 22338 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.200.CI-CI.xvg 22331 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.200.CI-CM.xvg 22346 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.200.CM-CM.xvg 22338 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.200.CT-CI.xvg 22360 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.200.CT-CM.xvg 22360 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.200.CT-CT.xvg 22331 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.225.CI-CI.xvg 22338 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.225.CI-CM.xvg 22333 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.225.CM-CM.xvg 22334 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.225.CT-CI.xvg 22348 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.225.CT-CM.xvg 22340 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.225.CT-CT.xvg 22355 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.250.CI-CI.xvg 22350 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.250.CI-CM.xvg 22316 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.250.CM-CM.xvg 22316 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.250.CT-CI.xvg 22341 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.250.CT-CM.xvg 22344 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.250.CT-CT.xvg 22342 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.275.CI-CI.xvg 22315 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.275.CI-CM.xvg 22343 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.275.CM-CM.xvg 22339 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.275.CT-CI.xvg 22349 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.275.CT-CM.xvg 22325 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.275.CT-CT.xvg 22333 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.300.CI-CI.xvg 22345 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.300.CI-CM.xvg 22355 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.300.CM-CM.xvg 22349 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.300.CT-CI.xvg 22335 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.300.CT-CM.xvg 22316 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.300.CT-CT.xvg 22329 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.325.CI-CI.xvg 22346 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.325.CI-CM.xvg 22340 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.325.CM-CM.xvg 22355 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.325.CT-CI.xvg 22351 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.325.CT-CM.xvg 22364 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NPT.325.CT-CT.xvg 22339 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.200.CI-CI.xvg 22333 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.200.CI-CM.xvg 22323 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.200.CM-CM.xvg 22355 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.200.CT-CI.xvg 22316 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.200.CT-CM.xvg 22315 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.200.CT-CT.xvg 22340 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.225.CI-CI.xvg 22348 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.225.CI-CM.xvg 22351 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.225.CM-CM.xvg 22333 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.225.CT-CI.xvg 22348 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.225.CT-CM.xvg 22345 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.225.CT-CT.xvg 22338 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.250.CI-CI.xvg 22335 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.250.CI-CM.xvg 22333 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.250.CM-CM.xvg 22340 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.250.CT-CI.xvg 22315 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.250.CT-CM.xvg 22343 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.250.CT-CT.xvg 22330 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.275.CI-CI.xvg 22333 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.275.CI-CM.xvg 22348 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.275.CM-CM.xvg 22330 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.275.CT-CI.xvg 22342 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.275.CT-CM.xvg 22339 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.275.CT-CT.xvg 22343 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.300.CI-CI.xvg 22335 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.300.CI-CM.xvg 22345 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.300.CM-CM.xvg 22349 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.300.CT-CI.xvg 22362 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.300.CT-CM.xvg 22338 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.300.CT-CT.xvg 22346 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.325.CI-CI.xvg 22319 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.325.CI-CM.xvg 22332 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.325.CM-CM.xvg 22345 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.325.CT-CI.xvg 22352 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.325.CT-CM.xvg 22347 08-01-2018 10:42 hexane/AA_rdfs/rdf_6.NVT.325.CT-CT.xvg 0 08-01-2018 10:40 hexane/AA_to_CG_mapping/ 16208 08-01-2018 10:40 hexane/AA_to_CG_mapping/1.NPT.200.tpr 212621260 08-01-2018 10:40 hexane/AA_to_CG_mapping/1.NPT.200.trr 16208 08-01-2018 10:40 hexane/AA_to_CG_mapping/1.NPT.225.tpr 212621260 08-01-2018 10:40 hexane/AA_to_CG_mapping/1.NPT.225.trr 16208 08-01-2018 10:40 hexane/AA_to_CG_mapping/1.NPT.250.tpr 212621260 08-01-2018 10:40 hexane/AA_to_CG_mapping/1.NPT.250.trr 16208 08-01-2018 10:40 hexane/AA_to_CG_mapping/1.NPT.275.tpr 212621260 08-01-2018 10:39 hexane/AA_to_CG_mapping/1.NPT.275.trr 16208 08-01-2018 10:39 hexane/AA_to_CG_mapping/1.NPT.300.tpr 212621260 08-01-2018 10:39 hexane/AA_to_CG_mapping/1.NPT.300.trr 16208 08-01-2018 10:39 hexane/AA_to_CG_mapping/1.NPT.325.tpr 212621260 08-01-2018 10:39 hexane/AA_to_CG_mapping/1.NPT.325.trr 16208 08-01-2018 10:40 hexane/AA_to_CG_mapping/1.NVT.200.tpr 212621260 08-01-2018 10:39 hexane/AA_to_CG_mapping/1.NVT.200.trr 16208 08-01-2018 10:39 hexane/AA_to_CG_mapping/1.NVT.225.tpr 212621260 08-01-2018 10:39 hexane/AA_to_CG_mapping/1.NVT.225.trr 16208 08-01-2018 10:40 hexane/AA_to_CG_mapping/1.NVT.250.tpr 212621260 08-01-2018 10:40 hexane/AA_to_CG_mapping/1.NVT.250.trr 16208 08-01-2018 10:39 hexane/AA_to_CG_mapping/1.NVT.275.tpr 212621260 08-01-2018 10:39 hexane/AA_to_CG_mapping/1.NVT.275.trr 16208 08-01-2018 10:40 hexane/AA_to_CG_mapping/1.NVT.300.tpr 212621260 08-01-2018 10:39 hexane/AA_to_CG_mapping/1.NVT.300.trr 16208 08-01-2018 10:40 hexane/AA_to_CG_mapping/1.NVT.325.tpr 212621260 08-01-2018 10:39 hexane/AA_to_CG_mapping/1.NVT.325.trr 48248 08-01-2018 10:39 hexane/AA_to_CG_mapping/3.NPT.200.tpr 634583452 08-01-2018 10:40 hexane/AA_to_CG_mapping/3.NPT.200.trr 48248 08-01-2018 10:40 hexane/AA_to_CG_mapping/3.NPT.225.tpr 634583452 08-01-2018 10:40 hexane/AA_to_CG_mapping/3.NPT.225.trr 48248 08-01-2018 10:39 hexane/AA_to_CG_mapping/3.NPT.250.tpr 634583452 08-01-2018 10:40 hexane/AA_to_CG_mapping/3.NPT.250.trr 48248 08-01-2018 10:40 hexane/AA_to_CG_mapping/3.NPT.275.tpr 634583452 08-01-2018 10:40 hexane/AA_to_CG_mapping/3.NPT.275.trr 48248 08-01-2018 10:40 hexane/AA_to_CG_mapping/3.NPT.300.tpr --------- ------- 5094914411 189 files ===================================================== Content of ZIP archive 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hexane/AA_to_CG_mapping/3.NVT.325.tpr 634583452 08-01-2018 10:39 hexane/AA_to_CG_mapping/3.NVT.325.trr 94668 08-01-2018 10:40 hexane/AA_to_CG_mapping/6.NPT.200.tpr --------- ------- 5077100020 16 files ===================================================== Content of ZIP archive hexane-03.zip ===================================================== Archive: hexane-03.zip Length Date Time Name --------- ---------- ----- ---- 1267526740 08-01-2018 10:40 hexane/AA_to_CG_mapping/6.NPT.200.trr 94668 08-01-2018 10:40 hexane/AA_to_CG_mapping/6.NPT.225.tpr 1267526740 08-01-2018 10:40 hexane/AA_to_CG_mapping/6.NPT.225.trr 94668 08-01-2018 10:39 hexane/AA_to_CG_mapping/6.NPT.250.tpr 1267526740 08-01-2018 10:40 hexane/AA_to_CG_mapping/6.NPT.250.trr 94668 08-01-2018 10:40 hexane/AA_to_CG_mapping/6.NPT.275.tpr 1267526740 08-01-2018 10:40 hexane/AA_to_CG_mapping/6.NPT.275.trr 94668 08-01-2018 10:39 hexane/AA_to_CG_mapping/6.NPT.300.tpr --------- ------- 5070485632 8 files 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hexane/CGFF/1-site/NPT/300K/save.g.dat 1472 08-01-2018 10:44 hexane/CGFF/1-site/NPT/300K/save.g_cnt.dat 1472 08-01-2018 10:44 hexane/CGFF/1-site/NPT/300K/save.rescale.dat 2412 08-01-2018 10:44 hexane/CGFF/1-site/NPT/300K/summarize_input.txt 0 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/ 15841 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/L.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/L_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/b_forces.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/b_forces_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/b_struct.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/b_struct_coeff.Pair_Interaction.total.CACA.dat 61029 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/cgff_HEX_1.NPT.325.o3218484 15841 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/f_forces.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/f_forces_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/f_struct.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/f_struct_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/g.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/g_cnt.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/g_coeff.Pair_Interaction.total.CACA.dat 154 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/inp.txt 7658 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/log.txt 919 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/out.total.txt 680 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/par.txt 250 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/qsub.sh 23 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/save.FF.dat 1349 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/save.L.dat 49624 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/save.M.dat 48564 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/save.M2.dat 7 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/save.Nf.dat 1368 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/save.b_forces.dat 1372 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/save.b_struct.dat 48564 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/save.d2M.dat 1501 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/save.d2b.dat 1403 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/save.g.dat 1471 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/save.g_cnt.dat 1471 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/save.rescale.dat 2412 08-01-2018 10:44 hexane/CGFF/1-site/NPT/325K/summarize_input.txt 0 08-01-2018 10:44 hexane/CGFF/1-site/NVT/ 0 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/ 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/L.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/L_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/b_forces.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/b_forces_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/b_struct.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/b_struct_coeff.Pair_Interaction.total.CACA.dat 60358 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/cgff_HEX_1.NVT.200.o3218676 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/f_forces.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/f_forces_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/f_struct.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/f_struct_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/g.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/g_cnt.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/g_coeff.Pair_Interaction.total.CACA.dat 154 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/inp.txt 7658 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/log.txt 917 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/out.total.txt 635 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/par.txt 250 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/qsub.sh 23 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/save.FF.dat 1349 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/save.L.dat 49518 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/save.M.dat 48564 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/save.M2.dat 7 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/save.Nf.dat 1377 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/save.b_forces.dat 1366 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/save.b_struct.dat 48564 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/save.d2M.dat 1497 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/save.d2b.dat 1403 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/save.g.dat 1475 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/save.g_cnt.dat 1475 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/save.rescale.dat 2256 08-01-2018 10:44 hexane/CGFF/1-site/NVT/200K/summarize_input.txt 0 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/ 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/L.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/L_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/b_forces.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/b_forces_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/b_struct.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/b_struct_coeff.Pair_Interaction.total.CACA.dat 60358 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/cgff_HEX_1.NVT.225.o3218678 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/f_forces.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/f_forces_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/f_struct.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/f_struct_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/g.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/g_cnt.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/g_coeff.Pair_Interaction.total.CACA.dat 154 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/inp.txt 7658 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/log.txt 917 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/out.total.txt 635 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/par.txt 250 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/qsub.sh 23 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/save.FF.dat 1349 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/save.L.dat 49611 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/save.M.dat 48564 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/save.M2.dat 7 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/save.Nf.dat 1371 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/save.b_forces.dat 1366 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/save.b_struct.dat 48564 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/save.d2M.dat 1497 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/save.d2b.dat 1403 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/save.g.dat 1473 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/save.g_cnt.dat 1473 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/save.rescale.dat 2256 08-01-2018 10:44 hexane/CGFF/1-site/NVT/225K/summarize_input.txt 0 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/ 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/L.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/L_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/b_forces.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/b_forces_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/b_struct.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/b_struct_coeff.Pair_Interaction.total.CACA.dat 60358 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/cgff_HEX_1.NVT.250.o3218680 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/f_forces.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/f_forces_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/f_struct.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/f_struct_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/g.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/g_cnt.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/g_coeff.Pair_Interaction.total.CACA.dat 154 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/inp.txt 7658 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/log.txt 917 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/out.total.txt 635 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/par.txt 250 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/qsub.sh 23 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/save.FF.dat 1349 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/save.L.dat 49617 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/save.M.dat 48564 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/save.M2.dat 7 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/save.Nf.dat 1370 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/save.b_forces.dat 1367 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/save.b_struct.dat 48564 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/save.d2M.dat 1497 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/save.d2b.dat 1403 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/save.g.dat 1473 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/save.g_cnt.dat 1473 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/save.rescale.dat 2256 08-01-2018 10:44 hexane/CGFF/1-site/NVT/250K/summarize_input.txt 0 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/ 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/L.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/L_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/b_forces.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/b_forces_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/b_struct.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/b_struct_coeff.Pair_Interaction.total.CACA.dat 60358 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/cgff_HEX_1.NVT.275.o3218683 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/f_forces.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/f_forces_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/f_struct.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/f_struct_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/g.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/g_cnt.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/g_coeff.Pair_Interaction.total.CACA.dat 154 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/inp.txt 7658 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/log.txt 919 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/out.total.txt 635 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/par.txt 250 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/qsub.sh 23 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/save.FF.dat 1349 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/save.L.dat 49621 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/save.M.dat 48564 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/save.M2.dat 7 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/save.Nf.dat 1370 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/save.b_forces.dat 1369 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/save.b_struct.dat 48564 08-01-2018 10:44 hexane/CGFF/1-site/NVT/275K/save.d2M.dat 1500 08-01-2018 10:44 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10:44 hexane/CGFF/1-site/NVT/300K/f_forces.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/300K/f_forces_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/300K/f_struct.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/300K/f_struct_coeff.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/300K/g.Pair_Interaction.total.CACA.dat 15841 08-01-2018 10:44 hexane/CGFF/1-site/NVT/300K/g_cnt.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/300K/g_cnt_coeff.Pair_Interaction.total.CACA.dat 1612 08-01-2018 10:44 hexane/CGFF/1-site/NVT/300K/g_coeff.Pair_Interaction.total.CACA.dat 154 08-01-2018 10:44 hexane/CGFF/1-site/NVT/300K/inp.txt 7658 08-01-2018 10:44 hexane/CGFF/1-site/NVT/300K/log.txt 919 08-01-2018 10:44 hexane/CGFF/1-site/NVT/300K/out.total.txt 635 08-01-2018 10:44 hexane/CGFF/1-site/NVT/300K/par.txt 250 08-01-2018 10:44 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hexane/CGFF/3-site/NPT/225K/g_cnt.Angle.total.Angle_CT-CM-CT.dat 2046 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/g_cnt.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/g_cnt.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/g_cnt.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/g_cnt.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/g_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/g_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/g_coeff.Pair_Interaction.total.CTCT.dat 154 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/inp.txt 78640 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/log.txt 3449 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/out.total.txt 1438 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/par.txt 250 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/qsub.sh 24 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/save.FF.dat 16055 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/save.L.dat 6671843 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/save.M.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/save.M2.dat 7 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/save.Nf.dat 16022 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/save.b_forces.dat 16377 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/save.b_struct.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/save.d2M.dat 17150 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/save.d2b.dat 16194 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/save.g.dat 16371 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/save.g_cnt.dat 16371 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/save.rescale.dat 4239 08-01-2018 10:45 hexane/CGFF/3-site/NPT/225K/summarize_input.txt 0 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/ 5580 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/L.Angle.total.Angle_CT-CM-CT.dat 2139 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/L.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/L.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/L.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/L.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/L_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/L_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/L_coeff.Pair_Interaction.total.CTCT.dat 5580 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_forces.Angle.total.Angle_CT-CM-CT.dat 2139 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_forces.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 5580 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_struct.Angle.total.Angle_CT-CM-CT.dat 2139 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_struct.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62853 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/cgff_HEX_3.NPT.250.o3218758 5580 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_forces.Angle.total.Angle_CT-CM-CT.dat 2139 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_forces.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 5580 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_struct.Angle.total.Angle_CT-CM-CT.dat 2139 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_struct.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 5580 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g.Angle.total.Angle_CT-CM-CT.dat 2139 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g.Pair_Interaction.total.CTCT.dat 5580 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g_cnt.Angle.total.Angle_CT-CM-CT.dat 2139 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g_cnt.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g_cnt.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g_cnt.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g_cnt.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/g_coeff.Pair_Interaction.total.CTCT.dat 154 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/inp.txt 78904 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/log.txt 3448 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/out.total.txt 1438 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/par.txt 250 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/qsub.sh 24 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/save.FF.dat 16062 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/save.L.dat 6673471 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/save.M.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/save.M2.dat 7 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/save.Nf.dat 16017 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/save.b_forces.dat 16377 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/save.b_struct.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/save.d2M.dat 17224 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/save.d2b.dat 16199 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/save.g.dat 16369 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/save.g_cnt.dat 16369 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/save.rescale.dat 4239 08-01-2018 10:45 hexane/CGFF/3-site/NPT/250K/summarize_input.txt 0 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/ 5704 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/L.Angle.total.Angle_CT-CM-CT.dat 2201 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/L.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/L.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/L.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/L.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/L_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/L_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/L_coeff.Pair_Interaction.total.CTCT.dat 5704 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_forces.Angle.total.Angle_CT-CM-CT.dat 2201 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_forces.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 5704 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_struct.Angle.total.Angle_CT-CM-CT.dat 2201 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_struct.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62852 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/cgff_HEX_3.NPT.275.o3218762 5704 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/f_forces.Angle.total.Angle_CT-CM-CT.dat 2201 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/f_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/f_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/f_forces.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/f_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 5704 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/f_struct.Angle.total.Angle_CT-CM-CT.dat 2201 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/f_struct.BondStretch.total.Bond_CT-CM.dat 15841 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10:45 hexane/CGFF/3-site/NPT/275K/g_cnt.Angle.total.Angle_CT-CM-CT.dat 2201 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/g_cnt.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/g_cnt.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/g_cnt.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/g_cnt.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/g_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/g_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/g_coeff.Pair_Interaction.total.CTCT.dat 154 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/inp.txt 79036 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/log.txt 3447 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/out.total.txt 1438 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/par.txt 250 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/qsub.sh 24 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/save.FF.dat 16065 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/save.L.dat 6674839 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/save.M.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/save.M2.dat 7 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/save.Nf.dat 16015 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/save.b_forces.dat 16367 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/save.b_struct.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/save.d2M.dat 17254 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/save.d2b.dat 16205 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/save.g.dat 16364 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/save.g_cnt.dat 16364 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/save.rescale.dat 4239 08-01-2018 10:45 hexane/CGFF/3-site/NPT/275K/summarize_input.txt 0 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/ 5859 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/L.Angle.total.Angle_CT-CM-CT.dat 2263 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/L.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/L.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/L.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/L.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/L_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/L_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/L_coeff.Pair_Interaction.total.CTCT.dat 5859 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_forces.Angle.total.Angle_CT-CM-CT.dat 2263 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_forces.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 5859 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_struct.Angle.total.Angle_CT-CM-CT.dat 2263 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_struct.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62854 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/cgff_HEX_3.NPT.300.o3218763 5859 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_forces.Angle.total.Angle_CT-CM-CT.dat 2263 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_forces.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 5859 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_struct.Angle.total.Angle_CT-CM-CT.dat 2263 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_struct.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 5859 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g.Angle.total.Angle_CT-CM-CT.dat 2263 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g.Pair_Interaction.total.CTCT.dat 5859 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g_cnt.Angle.total.Angle_CT-CM-CT.dat 2263 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g_cnt.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g_cnt.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g_cnt.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g_cnt.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/g_coeff.Pair_Interaction.total.CTCT.dat 154 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/inp.txt 79190 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/log.txt 3446 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/out.total.txt 1438 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/par.txt 250 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/qsub.sh 24 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/save.FF.dat 16065 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/save.L.dat 6675960 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/save.M.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/save.M2.dat 7 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/save.Nf.dat 16015 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/save.b_forces.dat 16366 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/save.b_struct.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/save.d2M.dat 17282 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/save.d2b.dat 16209 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/save.g.dat 16358 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/save.g_cnt.dat 16358 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/save.rescale.dat 4239 08-01-2018 10:45 hexane/CGFF/3-site/NPT/300K/summarize_input.txt 0 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/ 5890 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/L.Angle.total.Angle_CT-CM-CT.dat 2294 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/L.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/L.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/L.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/L.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/L_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/L_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/L_coeff.Pair_Interaction.total.CTCT.dat 5890 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_forces.Angle.total.Angle_CT-CM-CT.dat 2294 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_forces.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 5890 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_struct.Angle.total.Angle_CT-CM-CT.dat 2294 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_struct.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62853 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/cgff_HEX_3.NPT.325.o3218764 5890 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_forces.Angle.total.Angle_CT-CM-CT.dat 2294 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_forces.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 5890 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_struct.Angle.total.Angle_CT-CM-CT.dat 2294 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_struct.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 5890 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g.Angle.total.Angle_CT-CM-CT.dat 2294 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g.Pair_Interaction.total.CTCT.dat 5890 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g_cnt.Angle.total.Angle_CT-CM-CT.dat 2294 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g_cnt.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g_cnt.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g_cnt.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g_cnt.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/g_coeff.Pair_Interaction.total.CTCT.dat 154 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/inp.txt 79234 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/log.txt 3444 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/out.total.txt 1438 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/par.txt 250 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/qsub.sh 24 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/save.FF.dat 16066 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/save.L.dat 6676307 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/save.M.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/save.M2.dat 7 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/save.Nf.dat 16008 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/save.b_forces.dat 16368 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/save.b_struct.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/save.d2M.dat 17305 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/save.d2b.dat 16207 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/save.g.dat 16355 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/save.g_cnt.dat 16355 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/save.rescale.dat 4239 08-01-2018 10:45 hexane/CGFF/3-site/NPT/325K/summarize_input.txt 0 08-01-2018 10:45 hexane/CGFF/3-site/NVT/ 0 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/ 5053 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/L.Angle.total.Angle_CT-CM-CT.dat 2015 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/L.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/L.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/L.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/L.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/L_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/L_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/L_coeff.Pair_Interaction.total.CTCT.dat 5053 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_forces.Angle.total.Angle_CT-CM-CT.dat 2015 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_forces.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 5053 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_struct.Angle.total.Angle_CT-CM-CT.dat 2015 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_struct.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62182 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/cgff_HEX_3.NVT.200.o3222816 5053 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_forces.Angle.total.Angle_CT-CM-CT.dat 2015 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_forces.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 5053 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_struct.Angle.total.Angle_CT-CM-CT.dat 2015 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_struct.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 5053 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g.Angle.total.Angle_CT-CM-CT.dat 2015 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g.Pair_Interaction.total.CTCT.dat 5053 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g_cnt.Angle.total.Angle_CT-CM-CT.dat 2015 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g_cnt.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g_cnt.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g_cnt.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g_cnt.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/g_coeff.Pair_Interaction.total.CTCT.dat 154 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/inp.txt 78420 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/log.txt 3446 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/out.total.txt 1393 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/par.txt 250 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/qsub.sh 24 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/save.FF.dat 16054 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/save.L.dat 6668736 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/save.M.dat 6631570 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/save.M2.dat 7 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/save.Nf.dat 16022 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/save.b_forces.dat 16375 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/save.b_struct.dat 6631570 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/save.d2M.dat 17077 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/save.d2b.dat 16191 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/save.g.dat 16361 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/save.g_cnt.dat 16361 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/save.rescale.dat 4083 08-01-2018 10:44 hexane/CGFF/3-site/NVT/200K/summarize_input.txt 0 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/ 5239 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/L.Angle.total.Angle_CT-CM-CT.dat 2108 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/L.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/L.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/L.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/L.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/L_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/L_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/L_coeff.Pair_Interaction.total.CTCT.dat 5239 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_forces.Angle.total.Angle_CT-CM-CT.dat 2108 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_forces.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 5239 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_struct.Angle.total.Angle_CT-CM-CT.dat 2108 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_struct.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 61518 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/cgff_HEX_3.NVT.225.o3222817 5239 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_forces.Angle.total.Angle_CT-CM-CT.dat 5177 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_forces.Angle.total.Angle_CT-CM-CT.edited.dat 2108 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_forces.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 5239 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_struct.Angle.total.Angle_CT-CM-CT.dat 2108 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_struct.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 5239 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g.Angle.total.Angle_CT-CM-CT.dat 2108 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g.Pair_Interaction.total.CTCT.dat 5239 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g_cnt.Angle.total.Angle_CT-CM-CT.dat 2108 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g_cnt.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g_cnt.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g_cnt.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g_cnt.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/g_coeff.Pair_Interaction.total.CTCT.dat 154 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/inp.txt 78618 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/log.txt 3444 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/out.total.txt 1393 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/par.txt 250 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/qsub.sh 24 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/save.FF.dat 16061 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/save.L.dat 6672257 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/save.M.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/save.M2.dat 7 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/save.Nf.dat 16015 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/save.b_forces.dat 16368 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/save.b_struct.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/save.d2M.dat 17136 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/save.d2b.dat 16198 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/save.g.dat 16362 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/save.g_cnt.dat 16362 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/save.rescale.dat 4083 08-01-2018 10:45 hexane/CGFF/3-site/NVT/225K/summarize_input.txt 0 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/ 5487 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/L.Angle.total.Angle_CT-CM-CT.dat 2170 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/L.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/L.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/L.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/L.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/L_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/L_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/L_coeff.Pair_Interaction.total.CTCT.dat 5487 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_forces.Angle.total.Angle_CT-CM-CT.dat 2170 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_forces.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 5487 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_struct.Angle.total.Angle_CT-CM-CT.dat 2170 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_struct.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62182 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/cgff_HEX_3.NVT.250.o3222818 5487 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_forces.Angle.total.Angle_CT-CM-CT.dat 2170 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_forces.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 5487 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_struct.Angle.total.Angle_CT-CM-CT.dat 2170 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_struct.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 5487 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g.Angle.total.Angle_CT-CM-CT.dat 2170 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g.Pair_Interaction.total.CTCT.dat 5487 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g_cnt.Angle.total.Angle_CT-CM-CT.dat 2170 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g_cnt.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g_cnt.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g_cnt.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g_cnt.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/g_coeff.Pair_Interaction.total.CTCT.dat 154 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/inp.txt 78838 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/log.txt 3446 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/out.total.txt 1393 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/par.txt 250 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/qsub.sh 24 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/save.FF.dat 16062 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/save.L.dat 6673512 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/save.M.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/save.M2.dat 7 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/save.Nf.dat 16014 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/save.b_forces.dat 16363 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/save.b_struct.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/save.d2M.dat 17218 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/save.d2b.dat 16204 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/save.g.dat 16359 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/save.g_cnt.dat 16359 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/save.rescale.dat 4083 08-01-2018 10:45 hexane/CGFF/3-site/NVT/250K/summarize_input.txt 0 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/ 5735 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/L.Angle.total.Angle_CT-CM-CT.dat 2232 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/L.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/L.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/L.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/L.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/L_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/L_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/L_coeff.Pair_Interaction.total.CTCT.dat 5735 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_forces.Angle.total.Angle_CT-CM-CT.dat 2232 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_forces.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 5735 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_struct.Angle.total.Angle_CT-CM-CT.dat 2232 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_struct.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62182 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/cgff_HEX_3.NVT.275.o3222819 5735 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_forces.Angle.total.Angle_CT-CM-CT.dat 2232 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_forces.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_forces_coeff.Pair_Interaction.total.CTCT.dat 5735 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_struct.Angle.total.Angle_CT-CM-CT.dat 2232 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_struct.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/f_struct_coeff.Pair_Interaction.total.CTCT.dat 5735 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g.Angle.total.Angle_CT-CM-CT.dat 2232 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g.Pair_Interaction.total.CTCT.dat 5735 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g_cnt.Angle.total.Angle_CT-CM-CT.dat 2232 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g_cnt.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g_cnt.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g_cnt.Pair_Interaction.total.CTCM.dat 16151 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g_cnt.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g_coeff.Pair_Interaction.total.CTCM.dat 1643 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/g_coeff.Pair_Interaction.total.CTCT.dat 154 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/inp.txt 79058 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/log.txt 3445 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/out.total.txt 1393 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/par.txt 250 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/qsub.sh 24 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/save.FF.dat 16065 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/save.L.dat 6674713 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/save.M.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/save.M2.dat 7 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/save.Nf.dat 16013 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/save.b_forces.dat 16371 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/save.b_struct.dat 6631570 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/save.d2M.dat 17255 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/save.d2b.dat 16201 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/save.g.dat 16361 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/save.g_cnt.dat 16361 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/save.rescale.dat 4083 08-01-2018 10:45 hexane/CGFF/3-site/NVT/275K/summarize_input.txt 0 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/ 5797 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/L.Angle.total.Angle_CT-CM-CT.dat 2232 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/L.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/L.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/L.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/L.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/L_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/L_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/L_coeff.Pair_Interaction.total.CTCT.dat 5797 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_forces.Angle.total.Angle_CT-CM-CT.dat 2232 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_forces.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_forces.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_forces_coeff.Pair_Interaction.total.CTCT.dat 5797 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_struct.Angle.total.Angle_CT-CM-CT.dat 2232 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_struct.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_struct.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_struct.Pair_Interaction.total.CTCM.dat 16461 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_struct.Pair_Interaction.total.CTCT.dat 1612 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1674 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/b_struct_coeff.Pair_Interaction.total.CTCT.dat 62182 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/cgff_HEX_3.NVT.300.o3222821 5797 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/f_forces.Angle.total.Angle_CT-CM-CT.dat 2232 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/f_forces.BondStretch.total.Bond_CT-CM.dat 15841 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/f_forces.Pair_Interaction.total.CMCM.dat 16151 08-01-2018 10:44 hexane/CGFF/3-site/NVT/300K/f_forces.Pair_Interaction.total.CTCM.dat 16461 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hexane/CGFF/6-site/NPT/225K/log.txt 8397 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/out.total.txt 2121 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/par.txt 250 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/qsub.sh 24 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/save.FF.dat 39494 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/save.L.dat 40832286 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/save.M.dat 40765564 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/save.M2.dat 7 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/save.Nf.dat 39677 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/save.b_forces.dat 41050 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/save.b_struct.dat 40765603 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/save.d2M.dat 41326 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/save.d2b.dat 39812 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/save.g.dat 40507 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/save.g_cnt.dat 40507 08-01-2018 10:45 hexane/CGFF/6-site/NPT/225K/save.rescale.dat 6984 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hexane/CGFF/6-site/NVT/HEX.6_CTCI_fbg_comp.xvg 138343 08-01-2018 10:45 hexane/CGFF/6-site/NVT/HEX.6_CTCM_fbg_comp.png 189598 08-01-2018 10:45 hexane/CGFF/6-site/NVT/HEX.6_CTCM_fbg_comp.xvg 137304 08-01-2018 10:45 hexane/CGFF/6-site/NVT/HEX.6_CTCT_fbg_comp.png 186111 08-01-2018 10:45 hexane/CGFF/6-site/NVT/HEX.6_CTCT_fbg_comp.xvg 69524 08-01-2018 10:45 hexane/CGFF/6-site/NVT/comp_nb_forces.CTCI.png 60726 08-01-2018 10:45 hexane/CGFF/6-site/NVT/comp_nb_forces.CTCI.xvg 84734 08-01-2018 10:45 hexane/CGFF/6-site/NVT/comp_nb_forces.CTCT.png 60909 08-01-2018 10:45 hexane/CGFF/6-site/NVT/comp_nb_forces.CTCT.xvg 154 08-01-2018 10:45 hexane/CGFF/6-site/inp.txt 2118 08-01-2018 10:45 hexane/CGFF/6-site/par.txt 270 08-01-2018 10:44 hexane/CGFF/qsub.sh 0 08-01-2018 10:41 hexane/pmatch/ 0 08-01-2018 10:41 hexane/pmatch/gen_input/ 0 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/ 0 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/200K/ 14072 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/200K/cghexane.data 115923 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/200K/lammps_nb_CA-CA.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/225K/ 14078 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/225K/cghexane.data 115929 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/225K/lammps_nb_CA-CA.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/250K/ 14086 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/250K/cghexane.data 115931 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/250K/lammps_nb_CA-CA.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/275K/ 14087 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/275K/cghexane.data 115935 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/275K/lammps_nb_CA-CA.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/300K/ 14096 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/300K/cghexane.data 115940 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/300K/lammps_nb_CA-CA.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/325K/ 14089 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/325K/cghexane.data 116149 08-01-2018 10:41 hexane/pmatch/gen_input/1-site/325K/lammps_nb_CA-CA.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/ 0 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/200K/ 55811 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/200K/cghexane.data 28521 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/200K/lammps_angle_CT-CM-CT.table 32917 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/200K/lammps_bond_CT-CM.table 116218 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/200K/lammps_nb_CM-CM.table 116717 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/200K/lammps_nb_CT-CM.table 116282 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/200K/lammps_nb_CT-CT.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/225K/ 55830 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/225K/cghexane.data 28463 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/225K/lammps_angle_CT-CM-CT.table 32515 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/225K/lammps_bond_CT-CM.table 116681 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/225K/lammps_nb_CM-CM.table 116719 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/225K/lammps_nb_CT-CM.table 116295 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/225K/lammps_nb_CT-CT.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/250K/ 55845 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/250K/cghexane.data 28396 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/250K/lammps_angle_CT-CM-CT.table 32693 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/250K/lammps_bond_CT-CM.table 116821 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/250K/lammps_nb_CM-CM.table 116603 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/250K/lammps_nb_CT-CM.table 116309 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/250K/lammps_nb_CT-CT.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/275K/ 55852 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/275K/cghexane.data 28524 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/275K/lammps_angle_CT-CM-CT.table 32883 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/275K/lammps_bond_CT-CM.table 116771 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/275K/lammps_nb_CM-CM.table 116693 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/275K/lammps_nb_CT-CM.table 116356 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/275K/lammps_nb_CT-CT.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/300K/ 55875 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/300K/cghexane.data 28557 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/300K/lammps_angle_CT-CM-CT.table 32758 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/300K/lammps_bond_CT-CM.table 116801 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/300K/lammps_nb_CM-CM.table 116671 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/300K/lammps_nb_CT-CM.table 116394 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/300K/lammps_nb_CT-CT.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/325K/ 55876 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/325K/cghexane.data 28362 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/325K/lammps_angle_CT-CM-CT.table 32888 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/325K/lammps_bond_CT-CM.table 116409 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/325K/lammps_nb_CM-CM.table 116742 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/325K/lammps_nb_CT-CM.table 116464 08-01-2018 10:41 hexane/pmatch/gen_input/3-site/325K/lammps_nb_CT-CT.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/ 0 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/200K/ 132610 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/200K/cghexane.data 29061 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/200K/lammps_angle_CI-CM-CM.table 29160 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/200K/lammps_angle_CT-CI-CM.table 33614 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/200K/lammps_bond_CI-CM.table 33728 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/200K/lammps_bond_CM-CM.table 33808 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/200K/lammps_bond_CT-CI.table 116837 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/200K/lammps_nb_CI-CI.table 115861 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/200K/lammps_nb_CI-CM.table 116379 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/200K/lammps_nb_CM-CM.table 115885 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/200K/lammps_nb_CT-CI.table 116834 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/200K/lammps_nb_CT-CM.table 115969 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/200K/lammps_nb_CT-CT.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/225K/ 132655 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/225K/cghexane.data 29135 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/225K/lammps_angle_CI-CM-CM.table 29138 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/225K/lammps_angle_CT-CI-CM.table 33616 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/225K/lammps_bond_CI-CM.table 33689 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/225K/lammps_bond_CM-CM.table 33790 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/225K/lammps_bond_CT-CI.table 116839 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/225K/lammps_nb_CI-CI.table 115851 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/225K/lammps_nb_CI-CM.table 116071 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/225K/lammps_nb_CM-CM.table 115881 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/225K/lammps_nb_CT-CI.table 116837 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/225K/lammps_nb_CT-CM.table 115928 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/225K/lammps_nb_CT-CT.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/250K/ 131502 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/250K/cghexane.data 28938 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/250K/lammps_angle_CI-CM-CM.table 29181 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/250K/lammps_angle_CT-CI-CM.table 33682 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/250K/lammps_bond_CI-CM.table 33279 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/250K/lammps_bond_CM-CM.table 33581 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/250K/lammps_bond_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/250K/lammps_nb_CI-CI.table 115875 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/250K/lammps_nb_CI-CM.table 115970 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/250K/lammps_nb_CM-CM.table 115870 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/250K/lammps_nb_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/250K/lammps_nb_CT-CM.table 115927 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/250K/lammps_nb_CT-CT.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/275K/ 131524 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/275K/cghexane.data 29004 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/275K/lammps_angle_CI-CM-CM.table 28984 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/275K/lammps_angle_CT-CI-CM.table 33794 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/275K/lammps_bond_CI-CM.table 33868 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/275K/lammps_bond_CM-CM.table 33787 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/275K/lammps_bond_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/275K/lammps_nb_CI-CI.table 115852 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/275K/lammps_nb_CI-CM.table 115945 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/275K/lammps_nb_CM-CM.table 115879 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/275K/lammps_nb_CT-CI.table 116841 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/275K/lammps_nb_CT-CM.table 115925 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/275K/lammps_nb_CT-CT.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/300K/ 131569 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/300K/cghexane.data 29088 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/300K/lammps_angle_CI-CM-CM.table 29180 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/300K/lammps_angle_CT-CI-CM.table 34024 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/300K/lammps_bond_CI-CM.table 34054 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/300K/lammps_bond_CM-CM.table 33878 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/300K/lammps_bond_CT-CI.table 116844 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/300K/lammps_nb_CI-CI.table 115845 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/300K/lammps_nb_CI-CM.table 115943 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/300K/lammps_nb_CM-CM.table 115880 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/300K/lammps_nb_CT-CI.table 116846 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/300K/lammps_nb_CT-CM.table 115924 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/300K/lammps_nb_CT-CT.table 0 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/325K/ 131580 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/325K/cghexane.data 29112 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/325K/lammps_angle_CI-CM-CM.table 29062 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/325K/lammps_angle_CT-CI-CM.table 33797 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/325K/lammps_bond_CI-CM.table 33775 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/325K/lammps_bond_CM-CM.table 33886 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/325K/lammps_bond_CT-CI.table 116829 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/325K/lammps_nb_CI-CI.table 115898 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/325K/lammps_nb_CI-CM.table 115938 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/325K/lammps_nb_CM-CM.table 115876 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/325K/lammps_nb_CT-CI.table 116848 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/325K/lammps_nb_CT-CM.table 115924 08-01-2018 10:41 hexane/pmatch/gen_input/6-site/325K/lammps_nb_CT-CT.table 8512 08-01-2018 10:41 hexane/pmatch/gen_input/add_angles 373 08-01-2018 10:41 hexane/pmatch/gen_input/add_angles.cpp 11958 08-01-2018 10:41 hexane/pmatch/gen_input/add_angles.txt 271 08-01-2018 10:41 hexane/pmatch/gen_input/qsub.sh 1345 08-01-2018 10:41 hexane/pmatch/gen_input/translate_table.py 8255 08-01-2018 10:41 hexane/pmatch/gen_input/translate_top.py 7177 08-01-2018 10:41 hexane/pmatch/gen_input/translate_top_fn.py 9010 08-01-2018 10:41 hexane/pmatch/gen_input/translate_top_fn.pyc 0 08-01-2018 10:40 hexane/pmatch/iter0/ 0 08-01-2018 10:40 hexane/pmatch/iter0/1-site/ 0 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/ 0 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/HEXpmatch_1.200.o2336657 50 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/Q.dat 255801 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/aa_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/aa_vol_dist.xvg 250482 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/aa_volumes.xvg 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/angle_E.dat 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/bond_E.dat 260472 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/cg_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/cg_vol_dist.xvg 250480 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/cg_volumes.xvg 14072 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/cghexane.data 3297 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/cghexane.lmp 617 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/config.ini 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/coul_E.dat 915542 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/enthalpy.dat 588 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/error_aa_vol_dist.xvg 588 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/g_cnt.dat 915592 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/kinetic_E.dat 115923 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/lammps_nb_CA-CA.table 2254384 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/log.lammps 79 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/log.txt 2251648 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/out.dat 45245604 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/outfile.xtc 915573 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/potential_E.dat 930988 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/press.dat 4248439 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/press_tens.dat 78 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/psi.dat 271 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/qsub.sh 40670 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/state1.restart 40670 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/state2.restart 915585 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/temp.dat 915573 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/vdw_E.dat 915598 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/vol.dat 80943 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/vol_dist_comp.png 10869 08-01-2018 10:40 hexane/pmatch/iter0/1-site/200K/vol_dist_comp.xvg 0 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/ 0 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/HEXpmatch_1.225.o2336665 48 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/Q.dat 255967 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/aa_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/aa_vol_dist.xvg 250483 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/aa_volumes.xvg 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/angle_E.dat 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/bond_E.dat 260472 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/cg_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/cg_vol_dist.xvg 250459 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/cg_volumes.xvg 14078 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/cghexane.data 3296 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/cghexane.lmp 617 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/config.ini 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/coul_E.dat 915609 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/enthalpy.dat 588 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/error_aa_vol_dist.xvg 588 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/g_cnt.dat 915517 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/kinetic_E.dat 115929 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/lammps_nb_CA-CA.table 2254380 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/log.lammps 79 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/log.txt 2251645 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/out.dat 45322188 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/outfile.xtc 915640 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/potential_E.dat 930851 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/press.dat 4247759 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/press_tens.dat 77 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/psi.dat 271 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/qsub.sh 40670 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/state1.restart 40670 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/state2.restart 915536 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/temp.dat 915640 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/vdw_E.dat 915691 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/vol.dat 87035 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/vol_dist_comp.png 10850 08-01-2018 10:40 hexane/pmatch/iter0/1-site/225K/vol_dist_comp.xvg 0 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/ 0 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/HEXpmatch_1.250.o2336669 50 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/Q.dat 255971 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/aa_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/aa_vol_dist.xvg 250481 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/aa_volumes.xvg 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/angle_E.dat 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/bond_E.dat 260484 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/cg_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/cg_vol_dist.xvg 250465 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/cg_volumes.xvg 14086 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/cghexane.data 3298 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/cghexane.lmp 617 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/config.ini 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/coul_E.dat 915562 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/enthalpy.dat 588 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/error_aa_vol_dist.xvg 588 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/error_cg_vol_dist.xvg 18 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/g_cnt.dat 915634 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/kinetic_E.dat 115931 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/lammps_nb_CA-CA.table 2254383 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/log.lammps 79 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/log.txt 2251646 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/out.dat 45383800 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/outfile.xtc 915619 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/potential_E.dat 930788 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/press.dat 4247924 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/press_tens.dat 78 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/psi.dat 271 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/qsub.sh 40670 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/state1.restart 40670 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/state2.restart 915610 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/temp.dat 915619 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/vdw_E.dat 915594 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/vol.dat 87202 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/vol_dist_comp.png 10877 08-01-2018 10:40 hexane/pmatch/iter0/1-site/250K/vol_dist_comp.xvg 0 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/ 0 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/HEXpmatch_1.275.o2336672 50 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/Q.dat 256088 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/aa_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/aa_vol_dist.xvg 250467 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/aa_volumes.xvg 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/angle_E.dat 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/bond_E.dat 260468 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/cg_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/cg_vol_dist.xvg 250459 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/cg_volumes.xvg 14087 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/cghexane.data 3296 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/cghexane.lmp 617 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/config.ini 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/coul_E.dat 915570 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/enthalpy.dat 588 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/error_aa_vol_dist.xvg 588 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/g_cnt.dat 915689 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/kinetic_E.dat 115935 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/lammps_nb_CA-CA.table 2254386 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/log.lammps 79 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/log.txt 2251651 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/out.dat 45463596 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/outfile.xtc 915569 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/potential_E.dat 930919 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/press.dat 4247863 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/press_tens.dat 77 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/psi.dat 271 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/qsub.sh 40670 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/state1.restart 40670 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/state2.restart 915532 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/temp.dat 915569 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/vdw_E.dat 915500 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/vol.dat 92885 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/vol_dist_comp.png 10917 08-01-2018 10:40 hexane/pmatch/iter0/1-site/275K/vol_dist_comp.xvg 0 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/ 0 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/HEXpmatch_1.300.o2336677 50 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/Q.dat 256086 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/aa_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/aa_vol_dist.xvg 250461 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/aa_volumes.xvg 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/angle_E.dat 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/bond_E.dat 260468 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/cg_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/cg_vol_dist.xvg 250459 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/cg_volumes.xvg 14096 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/cghexane.data 3296 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/cghexane.lmp 617 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/config.ini 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/coul_E.dat 915579 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/enthalpy.dat 588 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/error_aa_vol_dist.xvg 588 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/error_cg_vol_dist.xvg 18 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/g_cnt.dat 915597 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/kinetic_E.dat 115940 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/lammps_nb_CA-CA.table 2254378 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/log.lammps 79 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/log.txt 2251643 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/out.dat 45528960 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/outfile.xtc 915608 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/potential_E.dat 931232 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/press.dat 4247826 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/press_tens.dat 77 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/psi.dat 271 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/qsub.sh 40670 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/state1.restart 40670 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/state2.restart 915680 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/temp.dat 915608 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/vdw_E.dat 915650 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/vol.dat 93461 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/vol_dist_comp.png 10924 08-01-2018 10:40 hexane/pmatch/iter0/1-site/300K/vol_dist_comp.xvg 0 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/ 0 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/HEXpmatch_1.325.o2336680 49 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/Q.dat 256033 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/aa_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/aa_vol_dist.xvg 250476 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/aa_volumes.xvg 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/angle_E.dat 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/bond_E.dat 260485 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/cg_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/cg_vol_dist.xvg 250473 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/cg_volumes.xvg 14089 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/cghexane.data 3296 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/cghexane.lmp 617 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/config.ini 318930 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/coul_E.dat 915600 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/enthalpy.dat 588 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/error_aa_vol_dist.xvg 588 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/error_cg_vol_dist.xvg 18 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/g_cnt.dat 915658 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/kinetic_E.dat 116149 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/lammps_nb_CA-CA.table 2254388 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/log.lammps 79 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/log.txt 2251653 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/out.dat 45629228 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/outfile.xtc 915628 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/potential_E.dat 931090 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/press.dat 4247716 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/press_tens.dat 77 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/psi.dat 271 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/qsub.sh 40670 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/state1.restart 40670 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/state2.restart 915540 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/temp.dat 915628 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/vdw_E.dat 915621 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/vol.dat 89543 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/vol_dist_comp.png 10916 08-01-2018 10:40 hexane/pmatch/iter0/1-site/325K/vol_dist_comp.xvg 0 08-01-2018 10:40 hexane/pmatch/iter0/3-site/ 0 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/ 0 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/HEXpmatch_3.200.o2336686 52 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/Q.dat 255801 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/aa_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/aa_vol_dist.xvg 250482 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/aa_volumes.xvg 915673 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/angle_E.dat 915576 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/bond_E.dat 260484 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/cg_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/cg_vol_dist.xvg 250481 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/cg_volumes.xvg 55811 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/cghexane.data 3420 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/cghexane.lmp 617 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/config.ini 318930 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/coul_E.dat 915584 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/enthalpy.dat 588 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/error_aa_vol_dist.xvg 588 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/g_cnt.dat 915592 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/kinetic_E.dat 28521 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/lammps_angle_CT-CM-CT.table 32917 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/lammps_bond_CT-CM.table 116218 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/lammps_nb_CM-CM.table 116717 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/lammps_nb_CT-CM.table 116282 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/lammps_nb_CT-CT.table 2254512 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/log.lammps 79 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/log.txt 2251653 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/out.dat 116519472 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/outfile.xtc 915622 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/potential_E.dat 930638 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/press.dat 4244074 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/press_tens.dat 77 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/psi.dat 271 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/qsub.sh 139170 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/state1.restart 139170 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/state2.restart 915497 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/temp.dat 915648 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/vdw_E.dat 915604 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/vol.dat 79405 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/vol_dist_comp.png 10873 08-01-2018 10:40 hexane/pmatch/iter0/3-site/200K/vol_dist_comp.xvg 0 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/ 0 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/HEXpmatch_3.225.o2336689 50 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/Q.dat 255967 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/aa_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/aa_vol_dist.xvg 250483 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/aa_volumes.xvg 915596 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/angle_E.dat 915620 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/bond_E.dat 260485 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/cg_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/cg_vol_dist.xvg 250480 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/cg_volumes.xvg 55830 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/cghexane.data 3420 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/cghexane.lmp 617 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/config.ini 318930 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/coul_E.dat 915603 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/enthalpy.dat 588 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/error_aa_vol_dist.xvg 588 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/g_cnt.dat 915514 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/kinetic_E.dat 28463 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/lammps_angle_CT-CM-CT.table 32515 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/lammps_bond_CT-CM.table 116681 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/lammps_nb_CM-CM.table 116719 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/lammps_nb_CT-CM.table 116295 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/lammps_nb_CT-CT.table 2254514 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/log.lammps 79 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/log.txt 2251655 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/out.dat 116951232 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/outfile.xtc 915517 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/potential_E.dat 930731 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/press.dat 4244459 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/press_tens.dat 77 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/psi.dat 271 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/qsub.sh 139170 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/state1.restart 139170 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/state2.restart 915592 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/temp.dat 915562 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/vdw_E.dat 915545 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/vol.dat 78269 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/vol_dist_comp.png 10849 08-01-2018 10:40 hexane/pmatch/iter0/3-site/225K/vol_dist_comp.xvg 0 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/ 0 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/HEXpmatch_3.250.o2336692 52 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/Q.dat 255971 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/aa_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/aa_vol_dist.xvg 250481 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/aa_volumes.xvg 915602 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/angle_E.dat 915599 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/bond_E.dat 260484 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/cg_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/cg_vol_dist.xvg 250464 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/cg_volumes.xvg 55845 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/cghexane.data 3420 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/cghexane.lmp 617 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/config.ini 318930 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/coul_E.dat 915584 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/enthalpy.dat 588 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/error_aa_vol_dist.xvg 588 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/error_cg_vol_dist.xvg 18 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/g_cnt.dat 915556 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/kinetic_E.dat 28396 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/lammps_angle_CT-CM-CT.table 32693 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/lammps_bond_CT-CM.table 116821 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/lammps_nb_CM-CM.table 116603 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/lammps_nb_CT-CM.table 116309 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/lammps_nb_CT-CT.table 2254513 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/log.lammps 79 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/log.txt 2251656 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/out.dat 117522292 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/outfile.xtc 915657 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/potential_E.dat 930611 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/press.dat 4244373 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/press_tens.dat 77 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/psi.dat 271 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/qsub.sh 139170 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/state1.restart 139170 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/state2.restart 915571 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/temp.dat 915593 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/vdw_E.dat 915538 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/vol.dat 85024 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/vol_dist_comp.png 10864 08-01-2018 10:40 hexane/pmatch/iter0/3-site/250K/vol_dist_comp.xvg 0 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/ 0 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/HEXpmatch_3.275.o2336697 52 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/Q.dat 256088 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/aa_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/aa_vol_dist.xvg 250467 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/aa_volumes.xvg 915695 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/angle_E.dat 915572 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/bond_E.dat 260469 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/cg_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/cg_vol_dist.xvg 250480 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/cg_volumes.xvg 55852 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/cghexane.data 3419 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/cghexane.lmp 617 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/config.ini 318930 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/coul_E.dat 915571 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/enthalpy.dat 588 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/error_aa_vol_dist.xvg 588 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/g_cnt.dat 915496 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/kinetic_E.dat 28524 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/lammps_angle_CT-CM-CT.table 32883 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/lammps_bond_CT-CM.table 116771 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/lammps_nb_CM-CM.table 116693 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/lammps_nb_CT-CM.table 116356 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/lammps_nb_CT-CT.table 2254513 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/log.lammps 79 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/log.txt 2251655 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/out.dat 118067344 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/outfile.xtc 915462 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/potential_E.dat 930715 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/press.dat 4244293 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/press_tens.dat 76 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/psi.dat 271 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/qsub.sh 139170 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/state1.restart 139170 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/state2.restart 915665 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/temp.dat 945628 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/vdw_E.dat 915641 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/vol.dat 90456 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/vol_dist_comp.png 10919 08-01-2018 10:40 hexane/pmatch/iter0/3-site/275K/vol_dist_comp.xvg 0 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/ 0 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/HEXpmatch_3.300.o2336703 52 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/Q.dat 256086 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/aa_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/aa_vol_dist.xvg 250461 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/aa_volumes.xvg 915644 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/angle_E.dat 915567 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/bond_E.dat 260476 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/cg_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/cg_vol_dist.xvg 250464 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/cg_volumes.xvg 55875 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/cghexane.data 3420 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/cghexane.lmp 617 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/config.ini 318930 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/coul_E.dat 915589 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/enthalpy.dat 588 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/error_aa_vol_dist.xvg 588 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/error_cg_vol_dist.xvg 18 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/g_cnt.dat 915589 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/kinetic_E.dat 28557 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/lammps_angle_CT-CM-CT.table 32758 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/lammps_bond_CT-CM.table 116801 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/lammps_nb_CM-CM.table 116671 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/lammps_nb_CT-CM.table 116394 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/lammps_nb_CT-CT.table 2254514 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/log.lammps 79 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/log.txt 2251655 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/out.dat --------- ------- 6904882803 3608 files ===================================================== Content of ZIP archive hexane-23.zip ===================================================== Archive: hexane-23.zip Length Date Time Name --------- ---------- ----- ---- 118578336 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/outfile.xtc 915572 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/potential_E.dat 930629 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/press.dat 4244562 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/press_tens.dat 77 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/psi.dat 271 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/qsub.sh 139170 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/state1.restart 139170 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/state2.restart 915577 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/temp.dat 945546 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/vdw_E.dat 915671 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/vol.dat 86647 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/vol_dist_comp.png 10918 08-01-2018 10:40 hexane/pmatch/iter0/3-site/300K/vol_dist_comp.xvg 0 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/ 0 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/HEXpmatch_3.325.o2336713 51 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/Q.dat 256033 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/aa_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/aa_vol_dist.xvg 250476 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/aa_volumes.xvg 915651 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/angle_E.dat 915785 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/bond_E.dat 260265 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/cg_pressures.xvg 399 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/cg_vol_dist.xvg 250475 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/cg_volumes.xvg 55876 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/cghexane.data 3419 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/cghexane.lmp 617 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/config.ini 318930 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/coul_E.dat 915691 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/enthalpy.dat 588 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/error_aa_vol_dist.xvg 588 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/error_cg_vol_dist.xvg 18 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/g_cnt.dat 915609 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/kinetic_E.dat 28362 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/lammps_angle_CT-CM-CT.table 32888 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/lammps_bond_CT-CM.table 116409 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/lammps_nb_CM-CM.table 116742 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/lammps_nb_CT-CM.table 116464 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/lammps_nb_CT-CT.table 2254513 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/log.lammps 79 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/log.txt 2251655 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/out.dat 119022216 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/outfile.xtc 915616 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/potential_E.dat 930677 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/press.dat 4244228 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/press_tens.dat 76 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/psi.dat 271 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/qsub.sh 139170 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/state1.restart 139170 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/state2.restart 915691 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/temp.dat 945605 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/vdw_E.dat 915600 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/vol.dat 88035 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/vol_dist_comp.png 10916 08-01-2018 10:40 hexane/pmatch/iter0/3-site/325K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/ 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/ 244 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/HEXpmatch_6.200.o2336768 0 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/HEXpmatch_6.200.o2373393 0 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/HEXpmatch_6.200.o2374820 0 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/HEXpmatch_6.200.o2374823 0 08-01-2018 10:41 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hexane/pmatch/iter0/6-site/200K/cghexane.lmp 618 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/config.ini 201901 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/coul_E.dat 117285 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/coul_E_restart.dat 606304 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/enthalpy.dat 339985 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/enthalpy_restart.dat 588 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/error_aa_vol_dist.xvg 588 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/g_cnt.dat 586943 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/kinetic_E.dat 329298 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/kinetic_E_restart.dat 29061 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/lammps_angle_CI-CM-CM.table 29160 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/lammps_angle_CT-CI-CM.table 33614 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/lammps_bond_CI-CM.table 33728 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/lammps_bond_CM-CM.table 33808 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/lammps_bond_CT-CI.table 116837 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/lammps_nb_CI-CI.table 115861 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/lammps_nb_CI-CM.table 116379 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/lammps_nb_CM-CM.table 115885 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/lammps_nb_CT-CI.table 116834 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/lammps_nb_CT-CM.table 115969 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/lammps_nb_CT-CT.table 804447 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/log.lammps 79 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/log.txt 1453105 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/out.dat 801124 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/out_restart.dat 72670460 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/outfile.xtc 606257 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/potential_E.dat 339939 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/potential_E_restart.dat 596621 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/press.dat 930685 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/press_cat.dat 334725 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/press_restart.dat 2764258 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/press_tens.dat 1528141 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/press_tens_restart.dat 76 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/qsub.sh 3866 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/state2.restart 300914 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/state2_rs.restart 586912 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/temp.dat 915549 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/temp_cat.dat 329290 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/temp_restart.dat 606329 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/vdw_E.dat 339902 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/vdw_E_restart.dat 586998 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/vol.dat 915592 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/vol_cat.dat 74000 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/vol_dist_comp.png 10864 08-01-2018 10:40 hexane/pmatch/iter0/6-site/200K/vol_dist_comp.xvg 329245 08-01-2018 10:41 hexane/pmatch/iter0/6-site/200K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/ 244 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/HEXpmatch_6.225.o2336776 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/HEXpmatch_6.225.o2374844 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/HEXpmatch_6.225.o2374848 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/HEXpmatch_6.225.o2374852 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/HEXpmatch_6.225.o2374868 51 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/Q.dat 255967 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/aa_vol_dist.xvg 250483 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/aa_volumes.xvg 601208 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/angle_E.dat 315009 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/angle_E_restart.dat 601205 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/bond_E.dat 315015 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/bond_E_restart.dat 268508 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/cg_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/cg_vol_dist.xvg 250478 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/cg_volumes.xvg 132655 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/cghexane.data 3544 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/cghexane.lmp 618 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/config.ini 206983 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/coul_E.dat 112203 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/coul_E_restart.dat 620941 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/enthalpy.dat 325143 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/error_aa_vol_dist.xvg 588 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/g_cnt.dat 601339 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/kinetic_E.dat 315070 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/kinetic_E_restart.dat 29135 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/lammps_angle_CI-CM-CM.table 29138 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/lammps_angle_CT-CI-CM.table 33616 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/lammps_bond_CI-CM.table 33689 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/lammps_bond_CM-CM.table 33790 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/lammps_bond_CT-CI.table 116839 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/lammps_nb_CI-CI.table 115851 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/lammps_nb_CI-CM.table 116071 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/lammps_nb_CM-CM.table 115881 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/lammps_nb_CT-CI.table 116837 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/lammps_nb_CT-CM.table 115928 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/lammps_nb_CT-CT.table 769801 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/log.lammps 79 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/log.txt 1487756 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/out.dat 766478 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/out_restart.dat 69660112 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/outfile.xtc 621137 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/potential_E.dat 325185 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/potential_E_restart.dat 611263 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/press.dat 930662 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/press_cat.dat 320066 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/press_restart.dat 2830204 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/press_tens.dat 1461572 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/press_tens_restart.dat 76 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/qsub.sh 3866 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/state2_rs.restart 601304 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/temp.dat 915623 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/temp_cat.dat 314973 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/temp_restart.dat 620987 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/vdw_E.dat 325210 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/vdw_E_restart.dat 601219 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/vol.dat 915564 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/vol_cat.dat 72355 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/vol_dist_comp.png 10847 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/vol_dist_comp.xvg 315001 08-01-2018 10:41 hexane/pmatch/iter0/6-site/225K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/ 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/HEXpmatch_6.250.o2369483 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/HEXpmatch_6.250.o2397752 53 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/Q.dat 255971 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/aa_vol_dist.xvg 250481 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/aa_volumes.xvg 592925 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/angle_E.dat 323325 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/angle_E_restart.dat 592876 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/bond_E.dat 323348 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/bond_E_restart.dat 262977 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/cg_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/cg_vol_dist.xvg 250482 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/cg_volumes.xvg 131502 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/cghexane.data 3544 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/cghexane.lmp 618 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/config.ini 204013 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/coul_E.dat 115173 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/coul_E_restart.dat 607520 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/enthalpy.dat 331130 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/error_aa_vol_dist.xvg 588 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/g_cnt.dat 592931 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/kinetic_E.dat 323358 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/kinetic_E_restart.dat 28938 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/lammps_angle_CI-CM-CM.table 29181 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/lammps_angle_CT-CI-CM.table 33682 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/lammps_bond_CI-CM.table 33279 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/lammps_bond_CM-CM.table 33581 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/lammps_bond_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/lammps_nb_CI-CI.table 115875 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/lammps_nb_CI-CM.table 115970 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/lammps_nb_CM-CM.table 115870 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/lammps_nb_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/lammps_nb_CT-CM.table 115927 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/lammps_nb_CT-CT.table 790047 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/log.lammps 79 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/log.txt 1467505 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/out.dat 786724 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/out_restart.dat 71569944 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/outfile.xtc 612422 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/potential_E.dat 333846 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/potential_E_restart.dat 602637 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/press.dat 930578 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/press_cat.dat 328614 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/press_restart.dat 2791706 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/press_tens.dat 1500523 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/press_tens_restart.dat 76 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/qsub.sh 3866 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/state2_rs.restart 592838 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/temp.dat 915557 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/temp_cat.dat 323375 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/temp_restart.dat 612454 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/vdw_E.dat 333776 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/vdw_E_restart.dat 592911 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/vol.dat 915644 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/vol_cat.dat 80750 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/vol_dist_comp.png 10877 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/vol_dist_comp.xvg 323388 08-01-2018 10:41 hexane/pmatch/iter0/6-site/250K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/ 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/HEXpmatch_6.275.o2369484 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/HEXpmatch_6.275.o2397874 53 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/Q.dat 256088 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/aa_vol_dist.xvg 250467 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/aa_volumes.xvg 701370 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/angle_E.dat 214894 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/angle_E_restart.dat 701342 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/bond_E.dat 214955 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/bond_E_restart.dat 257615 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/cg_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/cg_vol_dist.xvg 250474 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/cg_volumes.xvg 131524 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/cghexane.data 3544 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/cghexane.lmp 618 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/config.ini 242623 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/coul_E.dat 76563 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/coul_E_restart.dat 703120 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/enthalpy.dat 215413 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/error_aa_vol_dist.xvg 588 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/g_cnt.dat 701344 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/kinetic_E.dat 214939 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/kinetic_E_restart.dat 29004 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/lammps_angle_CI-CM-CM.table 28984 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/lammps_angle_CT-CI-CM.table 33794 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/lammps_bond_CI-CM.table 33868 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/lammps_bond_CM-CM.table 33787 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/lammps_bond_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/lammps_nb_CI-CI.table 115852 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/lammps_nb_CI-CM.table 115945 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/lammps_nb_CM-CM.table 115879 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/lammps_nb_CT-CI.table 116841 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/lammps_nb_CT-CM.table 115925 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/lammps_nb_CT-CT.table 526795 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/log.lammps 79 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/log.txt 1730756 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/out.dat 523473 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/out_restart.dat 47568732 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/outfile.xtc 724454 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/potential_E.dat 221887 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/potential_E_restart.dat 712872 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/press.dat 930593 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/press_cat.dat 218389 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/press_restart.dat 3294760 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/press_tens.dat 997045 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/press_tens_restart.dat 76 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/qsub.sh 3865 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/state2_rs.restart 701389 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/temp.dat 915649 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/temp_cat.dat 214915 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/temp_restart.dat 724341 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/vdw_E.dat 221877 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/vdw_E_restart.dat 701390 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/vol.dat 915663 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/vol_cat.dat 91336 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/vol_dist_comp.png 10925 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/vol_dist_comp.xvg 214928 08-01-2018 10:41 hexane/pmatch/iter0/6-site/275K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/ 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/HEXpmatch_6.300.o2369490 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/HEXpmatch_6.300.o2397991 53 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/Q.dat 256086 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/aa_vol_dist.xvg 250461 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/aa_volumes.xvg 744415 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/angle_E.dat 171989 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/angle_E_restart.dat 744291 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/bond_E.dat 171961 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/bond_E_restart.dat 256103 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/cg_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/cg_vol_dist.xvg 250495 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/cg_volumes.xvg 131569 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/cghexane.data 3544 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/cghexane.lmp 618 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/config.ini 257924 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/coul_E.dat 61262 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/coul_E_restart.dat 744416 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/enthalpy.dat 171990 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/error_aa_vol_dist.xvg 588 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/g_cnt.dat 744327 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/kinetic_E.dat 171972 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/kinetic_E_restart.dat 29088 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/lammps_angle_CI-CM-CM.table 29180 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/lammps_angle_CT-CI-CM.table 34024 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/lammps_bond_CI-CM.table 34054 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/lammps_bond_CM-CM.table 33878 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/lammps_bond_CT-CI.table 116844 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/lammps_nb_CI-CI.table 115845 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/lammps_nb_CI-CM.table 115943 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/lammps_nb_CM-CM.table 115880 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/lammps_nb_CT-CI.table 116846 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/lammps_nb_CT-CM.table 115924 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/lammps_nb_CT-CT.table 422477 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/log.lammps 79 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/log.txt 1835081 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/out.dat 419153 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/out_restart.dat 38060776 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/outfile.xtc 768660 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/potential_E.dat 177514 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/potential_E_restart.dat 756525 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/press.dat 930657 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/press_cat.dat 174793 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/press_restart.dat 3494189 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/press_tens.dat 797956 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/press_tens_restart.dat 75 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/qsub.sh 3865 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/state2_rs.restart 744291 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/temp.dat 915627 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/temp_cat.dat 171993 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/temp_restart.dat 768731 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/vdw_E.dat 177526 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/vdw_E_restart.dat 744245 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/vol.dat 915591 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/vol_cat.dat 85745 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/vol_dist_comp.png 10922 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/vol_dist_comp.xvg 172002 08-01-2018 10:41 hexane/pmatch/iter0/6-site/300K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/ 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/HEXpmatch_6.325.o2369498 0 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/HEXpmatch_6.325.o2398164 51 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/Q.dat 256033 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/aa_vol_dist.xvg 250476 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/aa_volumes.xvg 833637 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/angle_E.dat 82585 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/angle_E_restart.dat 833616 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/bond_E.dat 82588 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/bond_E_restart.dat 254517 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/cg_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/cg_vol_dist.xvg 250450 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/cg_volumes.xvg 131580 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/cghexane.data 3544 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/cghexane.lmp 618 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/config.ini 289747 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/coul_E.dat 29439 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/coul_E_restart.dat 833613 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/enthalpy.dat 82588 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/error_aa_vol_dist.xvg 588 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/g_cnt.dat 833617 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/kinetic_E.dat 82619 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/kinetic_E_restart.dat 29112 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/lammps_angle_CI-CM-CM.table 29062 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/lammps_angle_CT-CI-CM.table 33797 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/lammps_bond_CI-CM.table 33775 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/lammps_bond_CM-CM.table 33886 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/lammps_bond_CT-CI.table 116829 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/lammps_nb_CI-CI.table 115898 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/lammps_nb_CI-CM.table 115938 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/lammps_nb_CM-CM.table 115876 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/lammps_nb_CT-CI.table 116848 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/lammps_nb_CT-CM.table 115924 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/lammps_nb_CT-CT.table 205504 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/log.lammps 79 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/log.txt 2052056 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/out.dat 202180 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/out_restart.dat 18294060 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/outfile.xtc 860930 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/potential_E.dat 85285 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/potential_E_restart.dat 847311 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/press.dat 930635 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/press_cat.dat 83990 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/press_restart.dat 3908680 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/press_tens.dat 383100 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/press_tens_restart.dat 73 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/qsub.sh 3865 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/state2_rs.restart 833568 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/temp.dat 915513 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/temp_cat.dat 82602 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/temp_restart.dat 861065 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/vdw_E.dat 85261 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/vdw_E_restart.dat 833604 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/vol.dat 915555 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/vol_cat.dat 81151 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/vol_dist_comp.png 10918 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/vol_dist_comp.xvg 82608 08-01-2018 10:41 hexane/pmatch/iter0/6-site/325K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/ 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/ 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/HEXpmatch_1.200.o2363378 42 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/Q.dat 255801 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/aa_vol_dist.xvg 250482 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/aa_volumes.xvg 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/angle_E.dat 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/bond_E.dat 930988 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/cg_vol_dist.xvg 915598 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/cg_volumes.dat 14072 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/cghexane.data 3297 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/coul_E.dat 915588 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/g_cnt.dat 86895 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/iterative_improvement.png 12509 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/iterative_improvement.xvg 915629 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/kinetic_E.dat 115923 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/lammps_nb_CA-CA.table 2254380 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/log.txt 2251646 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/out.dat 45246884 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/outfile.xtc 915614 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/potential_E.dat 930719 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/press.dat 4248007 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/press_tens.dat 78 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/qsub.sh 40670 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/state1.restart 40670 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/state2.restart 915541 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/temp.dat 915614 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/vdw_E.dat 915585 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/vol.dat 81352 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/vol_dist_comp.png 10852 08-01-2018 10:41 hexane/pmatch/iter1/1-site/200K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/HEXpmatch_1.250.o2363393 42 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/Q.dat 255971 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/aa_vol_dist.xvg 250481 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/aa_volumes.xvg 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/angle_E.dat 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/bond_E.dat 930788 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/cg_vol_dist.xvg 915594 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/cg_volumes.dat 14086 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/cghexane.data 3297 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/coul_E.dat 915628 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/g_cnt.dat 83581 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/iterative_improvement.png 12532 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/iterative_improvement.xvg 915569 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/kinetic_E.dat 115931 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/lammps_nb_CA-CA.table 2254387 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/log.txt 2251653 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/out.dat 45385088 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/outfile.xtc 915613 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/potential_E.dat 930769 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/press.dat 4247840 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/press_tens.dat 78 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/qsub.sh 40670 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/state1.restart 40670 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/state2.restart 915702 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/temp.dat 915613 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/vdw_E.dat 915612 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/vol.dat 72906 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/vol_dist_comp.png 10880 08-01-2018 10:41 hexane/pmatch/iter1/1-site/250K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/HEXpmatch_1.275.o2363399 42 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/Q.dat 256088 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/aa_vol_dist.xvg 250467 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/aa_volumes.xvg 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/angle_E.dat 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/bond_E.dat 930919 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/cg_vol_dist.xvg 915500 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/cg_volumes.dat 14087 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/cghexane.data 3296 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/coul_E.dat 915543 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/g_cnt.dat 98160 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/iterative_improvement.png 12572 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/iterative_improvement.xvg 915634 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/kinetic_E.dat 115935 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/lammps_nb_CA-CA.table 2254382 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/log.txt 2251647 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/out.dat 45468560 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/outfile.xtc 915605 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/potential_E.dat 930919 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/press.dat 4247645 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/qsub.sh 40670 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/state1.restart 40670 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/state2.restart 915669 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/temp.dat 915605 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/vdw_E.dat 915618 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/vol.dat 92047 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/vol_dist_comp.png 10922 08-01-2018 10:41 hexane/pmatch/iter1/1-site/275K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/HEXpmatch_1.300.o2363406 42 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/Q.dat 256086 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/aa_vol_dist.xvg 250461 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/aa_volumes.xvg 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/angle_E.dat 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/bond_E.dat 931232 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/cg_vol_dist.xvg 915650 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/cg_volumes.dat 14096 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/cghexane.data 3296 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/coul_E.dat 915482 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/g_cnt.dat 93105 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/iterative_improvement.png 12578 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/iterative_improvement.xvg 915587 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/kinetic_E.dat 115940 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/lammps_nb_CA-CA.table 2254381 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/log.txt 2251646 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/out.dat 45537232 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/outfile.xtc 915513 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/potential_E.dat 931112 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/press.dat 4247444 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/qsub.sh 40670 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/state1.restart 40670 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/state2.restart 915574 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/temp.dat 915513 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/vdw_E.dat 915655 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/vol.dat 81923 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/vol_dist_comp.png 10921 08-01-2018 10:41 hexane/pmatch/iter1/1-site/300K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/HEXpmatch_1.325.o2363421 42 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/Q.dat 256033 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/aa_vol_dist.xvg 250476 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/aa_volumes.xvg 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/angle_E.dat 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/bond_E.dat 931090 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/cg_vol_dist.xvg 915621 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/cg_volumes.dat 14089 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/cghexane.data 3296 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/coul_E.dat 915622 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/g_cnt.dat 92498 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/iterative_improvement.png 12570 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/iterative_improvement.xvg 915588 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/kinetic_E.dat 116149 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/lammps_nb_CA-CA.table 2254380 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/log.txt 2251645 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/out.dat 45639472 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/outfile.xtc 915600 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/potential_E.dat 931157 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/press.dat 4247561 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/qsub.sh 40670 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/state1.restart 40670 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/state2.restart 915635 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/temp.dat 915600 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/vdw_E.dat 915643 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/vol.dat 80559 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/vol_dist_comp.png 10917 08-01-2018 10:41 hexane/pmatch/iter1/1-site/325K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/ 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/HEXpmatch_3.200.o2363628 42 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/Q.dat 255801 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/aa_vol_dist.xvg 250482 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/aa_volumes.xvg 915663 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/angle_E.dat 915498 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/bond_E.dat 930638 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/cg_vol_dist.xvg 915604 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/cg_volumes.dat 55811 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/cghexane.data 3420 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/coul_E.dat 915488 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/g_cnt.dat 89418 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/iterative_improvement.png 12521 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/iterative_improvement.xvg 915663 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/kinetic_E.dat 28521 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/lammps_angle_CT-CM-CT.table 32917 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/lammps_bond_CT-CM.table 116218 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/lammps_nb_CM-CM.table 116717 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/lammps_nb_CT-CM.table 116282 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/lammps_nb_CT-CT.table 2254514 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/log.txt 2251657 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/out.dat 116538256 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/outfile.xtc 915585 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/potential_E.dat 930520 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/press.dat 4243960 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/qsub.sh 139170 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/state1.restart 139170 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/state2.restart 915614 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/temp.dat 915562 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/vdw_E.dat 915591 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/vol.dat 84771 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/vol_dist_comp.png 10864 08-01-2018 10:41 hexane/pmatch/iter1/3-site/200K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/HEXpmatch_3.225.o2363641 42 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/Q.dat 255967 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/aa_vol_dist.xvg 250483 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/aa_volumes.xvg 915665 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/angle_E.dat 915500 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/bond_E.dat 930731 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/cg_vol_dist.xvg 915545 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/cg_volumes.dat 55830 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/cghexane.data 3420 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/coul_E.dat 915632 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/g_cnt.dat 89722 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/iterative_improvement.png 12504 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/iterative_improvement.xvg 915529 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/kinetic_E.dat 28463 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/lammps_angle_CT-CM-CT.table 32515 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/lammps_bond_CT-CM.table 116681 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/lammps_nb_CM-CM.table 116719 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/lammps_nb_CT-CM.table 116295 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/lammps_nb_CT-CT.table 2254515 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/log.txt 2251656 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/out.dat 116965516 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/outfile.xtc 915714 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/potential_E.dat 930556 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/press.dat 4244046 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/qsub.sh 139170 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/state1.restart 139170 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/state2.restart 915621 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/temp.dat 915551 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/vdw_E.dat 915579 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/vol.dat 92054 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/vol_dist_comp.png 10846 08-01-2018 10:41 hexane/pmatch/iter1/3-site/225K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/HEXpmatch_3.250.o2363645 42 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/Q.dat 255971 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/aa_vol_dist.xvg 250481 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/aa_volumes.xvg 915587 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/angle_E.dat 915542 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/bond_E.dat 930611 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/cg_vol_dist.xvg 915538 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/cg_volumes.dat 55845 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/cghexane.data 3420 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/coul_E.dat 915589 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/g_cnt.dat 90638 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/iterative_improvement.png 12523 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/iterative_improvement.xvg 915596 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/kinetic_E.dat 28396 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/lammps_angle_CT-CM-CT.table 32693 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/lammps_bond_CT-CM.table 116821 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/lammps_nb_CM-CM.table 116603 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/lammps_nb_CT-CM.table 116309 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/lammps_nb_CT-CT.table 2254513 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/log.txt 2251656 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/out.dat 117516608 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/outfile.xtc 915555 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/potential_E.dat 930663 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/press.dat 4244022 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/qsub.sh 139170 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/state1.restart 139170 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/state2.restart 915689 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/temp.dat 915548 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/vdw_E.dat 915574 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/vol.dat 83448 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/vol_dist_comp.png 10869 08-01-2018 10:41 hexane/pmatch/iter1/3-site/250K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/HEXpmatch_3.275.o2363664 42 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/Q.dat 256088 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/aa_vol_dist.xvg 250467 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/aa_volumes.xvg 915621 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/angle_E.dat 915511 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/bond_E.dat 930715 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/cg_vol_dist.xvg 915641 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/cg_volumes.dat 55852 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/cghexane.data 3420 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/coul_E.dat 915645 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/g_cnt.dat 98639 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/iterative_improvement.png 12566 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/iterative_improvement.xvg 915593 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/kinetic_E.dat 28524 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/lammps_angle_CT-CM-CT.table 32883 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/lammps_bond_CT-CM.table 116771 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/lammps_nb_CM-CM.table 116693 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/lammps_nb_CT-CM.table 116356 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/lammps_nb_CT-CT.table 2254513 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/log.txt 2251656 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/out.dat 118084536 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/outfile.xtc 915666 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/potential_E.dat 930490 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/press.dat 4244306 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/qsub.sh 139170 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/state1.restart 139170 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/state2.restart 915642 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/temp.dat 945561 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/vdw_E.dat 915601 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/vol.dat 94036 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/vol_dist_comp.png 10914 08-01-2018 10:41 hexane/pmatch/iter1/3-site/275K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/HEXpmatch_3.300.o2363674 42 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/Q.dat 256086 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/aa_vol_dist.xvg 250461 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/aa_volumes.xvg 915496 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/angle_E.dat 915607 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/bond_E.dat 930629 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/cg_vol_dist.xvg 915671 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/cg_volumes.dat 55875 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/cghexane.data 3420 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/coul_E.dat 915562 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/g_cnt.dat 94610 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/iterative_improvement.png 12570 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/iterative_improvement.xvg 915550 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/kinetic_E.dat 28557 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/lammps_angle_CT-CM-CT.table 32758 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/lammps_bond_CT-CM.table 116801 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/lammps_nb_CM-CM.table 116671 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/lammps_nb_CT-CM.table 116394 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/lammps_nb_CT-CT.table 2254512 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/log.txt 2251653 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/out.dat 118613548 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/outfile.xtc 915628 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/potential_E.dat 930596 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/press.dat 4244980 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/qsub.sh 139170 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/state1.restart 139170 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/state2.restart 915628 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/temp.dat 945650 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/vdw_E.dat 915686 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/vol.dat 86277 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/vol_dist_comp.png 10919 08-01-2018 10:41 hexane/pmatch/iter1/3-site/300K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/CG_g_cnt.dat 176 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/HEXpmatch_3.325.o2366511 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/HEXpmatch_3.325.o2374831 177 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/HEXpmatch_3.325.o2374833 0 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/HEXpmatch_3.325.o2374974 42 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/Q.dat 256033 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/aa_vol_dist.xvg 250476 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/aa_volumes.xvg 915546 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/angle_E.dat 915631 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/bond_E.dat 930677 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/cg_pressures.dat 915600 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/cg_volumes.dat 55876 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/cghexane.data 3399 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/coul_E.dat 915661 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/enthalpy.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/g_cnt.dat 915661 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/kinetic_E.dat 28362 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/lammps_angle_CT-CM-CT.table 32888 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/lammps_bond_CT-CM.table 116409 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/lammps_nb_CM-CM.table 116742 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/lammps_nb_CT-CM.table 116464 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/lammps_nb_CT-CT.table 2254544 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/log.txt 2251706 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/out.dat 127628544 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/outfile.xtc 915586 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/potential_E.dat 936695 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/press.dat 4378693 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/press_tens.dat 76 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/qsub.sh 139170 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/state1.restart 139170 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/state2.restart 915512 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/temp.dat 945703 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/vdw_E.dat 915600 08-01-2018 10:41 hexane/pmatch/iter1/3-site/325K/vol.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/ 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/HEXpmatch_6.200.o2396794 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/HEXpmatch_6.200.o2462904 42 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/Q.dat 255801 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/aa_vol_dist.xvg 250482 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/aa_volumes.xvg 481808 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/angle_E.dat 434531 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/angle_E_restart.dat 481727 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/bond_E.dat 434509 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/bond_E_restart.dat 930685 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/cg_vol_dist.xvg 915592 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/cg_volumes.dat 132610 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/cghexane.data 3555 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/cghexane.lmp 636 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/config.ini 164424 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/coul_E.dat 154762 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/coul_E_restart.dat 497618 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/enthalpy.dat 448541 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/g_cnt.dat 72679 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/iterative_improvement.png 12484 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/iterative_improvement.xvg 481723 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/kinetic_E.dat 434466 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/kinetic_E_restart.dat 29061 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/lammps_angle_CI-CM-CM.table 29160 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/lammps_angle_CT-CI-CM.table 33614 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/lammps_bond_CI-CM.table 33728 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/lammps_bond_CM-CM.table 33808 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/lammps_bond_CT-CI.table 116837 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/lammps_nb_CI-CI.table 115861 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/lammps_nb_CI-CM.table 116379 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/lammps_nb_CM-CM.table 115885 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/lammps_nb_CT-CI.table 116834 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/lammps_nb_CT-CM.table 115969 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/lammps_nb_CT-CT.table 1059986 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/log.txt 1197582 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/out.dat 1056652 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/out_restart.dat 95653092 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/outfile.xtc 497533 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/potential_E.dat 448627 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/potential_E_restart.dat 489667 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/press.dat 930661 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/press_cat.dat 441658 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/press_restart.dat 2251756 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/press_tens.dat 1995279 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/press_tens_restart.dat 79 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/qsub.sh 3877 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/state2_rs.restart 481657 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/temp.dat 915561 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/temp_cat.dat 434557 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/temp_restart.dat 497704 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/vdw_E.dat 448594 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/vdw_E_restart.dat 481729 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/vol.dat 915615 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/vol_cat.dat 70543 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/vol_dist_comp.png 10830 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/vol_dist_comp.xvg 434543 08-01-2018 10:41 hexane/pmatch/iter1/6-site/200K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/HEXpmatch_6.225.o2397542 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/HEXpmatch_6.225.o2462905 42 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/Q.dat 255967 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/aa_vol_dist.xvg 250483 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/aa_volumes.xvg 565561 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/angle_E.dat 350717 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/angle_E_restart.dat 565550 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/bond_E.dat 350613 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/bond_E_restart.dat 930662 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/cg_vol_dist.xvg 915564 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/cg_volumes.dat 132655 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/cghexane.data 3555 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/cghexane.lmp 636 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/config.ini 194278 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/coul_E.dat 124908 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/coul_E_restart.dat 584175 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/enthalpy.dat 361994 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/g_cnt.dat 78728 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/iterative_improvement.png 12470 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/iterative_improvement.xvg 565545 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/kinetic_E.dat 350710 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/kinetic_E_restart.dat 29135 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/lammps_angle_CI-CM-CM.table 29138 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/lammps_angle_CT-CI-CM.table 33616 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/lammps_bond_CI-CM.table 33689 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/lammps_bond_CM-CM.table 33790 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/lammps_bond_CT-CI.table 116839 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/lammps_nb_CI-CI.table 115851 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/lammps_nb_CI-CM.table 116071 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/lammps_nb_CM-CM.table 115881 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/lammps_nb_CT-CI.table 116837 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/lammps_nb_CT-CM.table 115928 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/lammps_nb_CT-CT.table 856434 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/log.txt 1401130 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/out.dat 853098 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/out_restart.dat 77399028 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/outfile.xtc 584177 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/potential_E.dat 362047 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/potential_E_restart.dat 574952 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/press.dat 930738 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/press_cat.dat 356448 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/press_restart.dat 2637102 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/press_tens.dat 1610225 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/press_tens_restart.dat 78 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/qsub.sh 3877 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/state2_rs.restart 565520 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/temp.dat 915517 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/temp_cat.dat 350649 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/temp_restart.dat 584155 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/vdw_E.dat 362048 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/vdw_E_restart.dat 565522 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/vol.dat 915513 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/vol_cat.dat 73834 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/vol_dist_comp.png 10815 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/vol_dist_comp.xvg 350648 08-01-2018 10:41 hexane/pmatch/iter1/6-site/225K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/HEXpmatch_6.250.o2418781 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/HEXpmatch_6.250.o2462918 42 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/Q.dat 255971 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/aa_vol_dist.xvg 250481 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/aa_volumes.xvg 570559 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/angle_E.dat 345633 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/angle_E_restart.dat 570633 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/bond_E.dat 345674 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/bond_E_restart.dat 930578 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/cg_vol_dist.xvg 915644 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/cg_volumes.dat 131502 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/cghexane.data 3554 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/cghexane.lmp 636 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/config.ini 196060 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/coul_E.dat 123126 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/coul_E_restart.dat 585741 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/enthalpy.dat 354795 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/g_cnt.dat 84401 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/iterative_improvement.png 12524 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/iterative_improvement.xvg 570586 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/kinetic_E.dat 345682 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/kinetic_E_restart.dat 28938 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/lammps_angle_CI-CM-CM.table 29181 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/lammps_angle_CT-CI-CM.table 33682 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/lammps_bond_CI-CM.table 33279 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/lammps_bond_CM-CM.table 33581 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/lammps_bond_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/lammps_nb_CI-CI.table 115875 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/lammps_nb_CI-CM.table 115970 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/lammps_nb_CM-CM.table 115870 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/lammps_nb_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/lammps_nb_CT-CM.table 115927 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/lammps_nb_CT-CT.table 844281 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/log.txt 1413282 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/out.dat 840946 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/out_restart.dat 76502512 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/outfile.xtc 589416 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/potential_E.dat 356909 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/potential_E_restart.dat 580023 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/press.dat 930720 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/press_cat.dat 351369 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/press_restart.dat 2670685 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/press_tens.dat 1593730 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/press_tens_restart.dat 77 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/qsub.sh 3876 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/state2_rs.restart 570519 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/temp.dat 915540 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/temp_cat.dat 345677 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/temp_restart.dat 589300 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/vdw_E.dat 356927 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/vdw_E_restart.dat 570531 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/vol.dat 915559 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/vol_cat.dat 77568 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/vol_dist_comp.png 10871 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/vol_dist_comp.xvg 345685 08-01-2018 10:41 hexane/pmatch/iter1/6-site/250K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/HEXpmatch_6.275.o2412058 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/HEXpmatch_6.275.o2462919 42 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/Q.dat 256088 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/aa_vol_dist.xvg 250467 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/aa_volumes.xvg 635828 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/angle_E.dat 280483 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/angle_E_restart.dat 635809 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/bond_E.dat 280471 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/bond_E_restart.dat 930593 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/cg_vol_dist.xvg 915663 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/cg_volumes.dat 131524 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/cghexane.data 3553 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/cghexane.lmp 636 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/config.ini 219281 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/coul_E.dat 99905 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/coul_E_restart.dat 637150 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/enthalpy.dat 281071 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/g_cnt.dat 105063 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/iterative_improvement.png 12579 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/iterative_improvement.xvg 635790 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/kinetic_E.dat 280487 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/kinetic_E_restart.dat 29004 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/lammps_angle_CI-CM-CM.table 28984 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/lammps_angle_CT-CI-CM.table 33794 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/lammps_bond_CI-CM.table 33868 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/lammps_bond_CM-CM.table 33787 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/lammps_bond_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/lammps_nb_CI-CI.table 115852 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/lammps_nb_CI-CM.table 115945 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/lammps_nb_CM-CM.table 115879 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/lammps_nb_CT-CI.table 116841 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/lammps_nb_CT-CM.table 115925 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/lammps_nb_CT-CT.table 685956 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/log.txt 1571606 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/out.dat 682623 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/out_restart.dat 62076260 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/outfile.xtc 656669 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/potential_E.dat 289531 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/potential_E_restart.dat 646189 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/press.dat 930450 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/press_cat.dat 284926 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/press_restart.dat 2991905 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/press_tens.dat 1301756 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/press_tens_restart.dat 75 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/qsub.sh 3874 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/state2_rs.restart 635794 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/temp.dat 915637 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/temp_cat.dat 280499 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/temp_restart.dat 656694 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/vdw_E.dat 289550 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/vdw_E_restart.dat 635804 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/vol.dat 915630 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/vol_cat.dat 92295 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/vol_dist_comp.png 10921 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/vol_dist_comp.xvg 280483 08-01-2018 10:41 hexane/pmatch/iter1/6-site/275K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/HEXpmatch_6.300.o2412084 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/HEXpmatch_6.300.o2462920 42 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/Q.dat 256086 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/aa_vol_dist.xvg 250461 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/aa_volumes.xvg 687806 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/angle_E.dat 228503 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/angle_E_restart.dat 687698 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/bond_E.dat 228503 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/bond_E_restart.dat 930657 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/cg_vol_dist.xvg 915591 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/cg_volumes.dat 131569 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/cghexane.data 3560 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/cghexane.lmp 636 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/config.ini 237794 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/coul_E.dat 81392 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/coul_E_restart.dat 687951 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/enthalpy.dat 228627 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/g_cnt.dat 85282 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/iterative_improvement.png 12578 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/iterative_improvement.xvg 687799 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/kinetic_E.dat 228463 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/kinetic_E_restart.dat 29088 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/lammps_angle_CI-CM-CM.table 29180 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/lammps_angle_CT-CI-CM.table 34024 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/lammps_bond_CI-CM.table 34054 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/lammps_bond_CM-CM.table 33878 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/lammps_bond_CT-CI.table 116844 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/lammps_nb_CI-CI.table 115845 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/lammps_nb_CI-CM.table 115943 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/lammps_nb_CM-CM.table 115880 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/lammps_nb_CT-CI.table 116846 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/lammps_nb_CT-CM.table 115924 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/lammps_nb_CT-CT.table 559734 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/log.txt 1697831 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/out.dat 556394 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/out_restart.dat 50573892 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/outfile.xtc 710403 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/potential_E.dat 235886 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/potential_E_restart.dat 699116 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/press.dat 930678 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/press_cat.dat 232230 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/press_restart.dat 3232416 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/press_tens.dat 1060375 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/press_tens_restart.dat 74 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/qsub.sh 3881 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/state2_rs.restart 687734 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/temp.dat 915555 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/temp_cat.dat 228474 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/temp_restart.dat 710448 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/vdw_E.dat 235835 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/vdw_E_restart.dat 687849 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/vol.dat 915723 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/vol_cat.dat 87876 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/vol_dist_comp.png 10923 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/vol_dist_comp.xvg 228529 08-01-2018 10:41 hexane/pmatch/iter1/6-site/300K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/ 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/HEXpmatch_6.325.o2404959 0 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/HEXpmatch_6.325.o2462925 42 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/Q.dat 256033 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/aa_vol_dist.xvg 250476 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/aa_volumes.xvg 728384 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/angle_E.dat 187845 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/angle_E_restart.dat 728465 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/bond_E.dat 187784 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/bond_E_restart.dat 930635 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/cg_vol_dist.xvg 915555 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/cg_volumes.dat 131580 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/cghexane.data 3561 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/cghexane.lmp 636 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/config.ini 252281 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/coul_E.dat 66905 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/coul_E_restart.dat 728442 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/enthalpy.dat 187844 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/g_cnt.dat 88230 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/iterative_improvement.png 12577 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/iterative_improvement.xvg 728366 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/kinetic_E.dat 187859 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/kinetic_E_restart.dat 29112 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/lammps_angle_CI-CM-CM.table 29062 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/lammps_angle_CT-CI-CM.table 33797 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/lammps_bond_CI-CM.table 33775 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/lammps_bond_CM-CM.table 33886 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/lammps_bond_CT-CI.table 116829 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/lammps_nb_CI-CI.table 115898 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/lammps_nb_CI-CM.table 115938 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/lammps_nb_CM-CM.table 115876 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/lammps_nb_CT-CI.table 116848 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/lammps_nb_CT-CM.table 115924 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/lammps_nb_CT-CT.table 460970 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/log.txt 1796605 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/out.dat 457629 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/out_restart.dat 41589324 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/outfile.xtc 752453 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/potential_E.dat 193897 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/potential_E_restart.dat 740534 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/press.dat 930774 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/press_cat.dat 190906 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/press_restart.dat 3415580 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/press_tens.dat 870173 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/press_tens_restart.dat 74 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/qsub.sh 3882 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/state2_rs.restart 728427 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/temp.dat 915578 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/temp_cat.dat 187807 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/temp_restart.dat 752352 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/vdw_E.dat 193841 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/vdw_E_restart.dat 728504 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/vol.dat 915631 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/vol_cat.dat 87666 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/vol_dist_comp.png 10922 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/vol_dist_comp.xvg 187783 08-01-2018 10:41 hexane/pmatch/iter1/6-site/325K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/ 0 08-01-2018 10:41 hexane/pmatch/iter2/1-site/ 0 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/ 18 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/HEXpmatch_1.200.o2366436 42 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/Q.dat 255801 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/aa_vol_dist.xvg 250482 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/aa_volumes.xvg 318930 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/angle_E.dat 318930 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/bond_E.dat 930719 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/cg_vol_dist.xvg 915585 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/cg_volumes.dat 14072 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/cghexane.data 3297 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/coul_E.dat 915614 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/g_cnt.dat 90597 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/iterative_improvement.png 14198 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/iterative_improvement.xvg 915697 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/kinetic_E.dat 115923 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/lammps_nb_CA-CA.table 2254380 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/log.txt 2251644 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/out.dat 45248628 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/outfile.xtc 915500 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/potential_E.dat 930904 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/press.dat 4248583 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/press_tens.dat 78 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/qsub.sh 40670 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/state1.restart 40670 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/state2.restart 915639 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/temp.dat 915500 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/vdw_E.dat 915660 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/vol.dat 84635 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/vol_dist_comp.png 10870 08-01-2018 10:41 hexane/pmatch/iter2/1-site/200K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/ 18 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/HEXpmatch_1.275.o2366467 42 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/Q.dat 256088 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/aa_vol_dist.xvg 250467 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/aa_volumes.xvg 318930 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/angle_E.dat 318930 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/bond_E.dat 930919 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/cg_vol_dist.xvg 915618 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/cg_volumes.dat 14087 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/cghexane.data 3296 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/coul_E.dat 915617 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/g_cnt.dat 98863 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/iterative_improvement.png 14262 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/iterative_improvement.xvg 915607 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/kinetic_E.dat 115935 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/lammps_nb_CA-CA.table 2254382 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/log.txt 2251649 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/out.dat 45468748 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/outfile.xtc 915628 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/potential_E.dat 930847 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/press.dat 4247630 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/qsub.sh 40670 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/state1.restart 40670 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/state2.restart 915648 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/temp.dat 915628 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/vdw_E.dat 915575 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/vol.dat 89664 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/vol_dist_comp.png 10922 08-01-2018 10:41 hexane/pmatch/iter2/1-site/275K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/ 18 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/HEXpmatch_1.300.o2366473 42 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/Q.dat 256086 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/aa_vol_dist.xvg 250461 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/aa_volumes.xvg 318930 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/angle_E.dat 318930 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/bond_E.dat 931112 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/cg_vol_dist.xvg 915655 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/cg_volumes.dat 14096 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/cghexane.data 3296 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/coul_E.dat 915559 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/g_cnt.dat 93974 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/iterative_improvement.png 14267 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/iterative_improvement.xvg 915620 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/kinetic_E.dat 115940 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/lammps_nb_CA-CA.table 2254379 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/log.txt 2251644 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/out.dat 45541436 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/outfile.xtc 915608 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/potential_E.dat 931099 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/press.dat 4247770 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/qsub.sh 40670 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/state1.restart 40670 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/state2.restart 915585 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/temp.dat 915608 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/vdw_E.dat 915514 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/vol.dat 81443 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/vol_dist_comp.png 10921 08-01-2018 10:41 hexane/pmatch/iter2/1-site/300K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter2/3-site/ 0 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/ 18 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/HEXpmatch_3.200.o2370986 42 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/Q.dat 255801 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/aa_vol_dist.xvg 250482 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/aa_volumes.xvg 915610 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/angle_E.dat 915595 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/bond_E.dat 930520 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/cg_vol_dist.xvg 915591 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/cg_volumes.dat 55811 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/cghexane.data 3420 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/coul_E.dat 915617 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/g_cnt.dat 92140 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/iterative_improvement.png 14210 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/iterative_improvement.xvg 915669 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/kinetic_E.dat 28521 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/lammps_angle_CT-CM-CT.table 32917 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/lammps_bond_CT-CM.table 116218 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/lammps_nb_CM-CM.table 116717 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/lammps_nb_CT-CM.table 116282 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/lammps_nb_CT-CT.table 2254511 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/log.txt 2251652 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/out.dat 116522768 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/outfile.xtc 915446 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/potential_E.dat 930711 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/press.dat 4244443 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/qsub.sh 139170 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/state1.restart 139170 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/state2.restart 915601 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/temp.dat 915574 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/vdw_E.dat 915599 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/vol.dat 83272 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/vol_dist_comp.png 10869 08-01-2018 10:41 hexane/pmatch/iter2/3-site/200K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/ 18 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/HEXpmatch_3.225.o2371040 42 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/Q.dat 255967 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/aa_vol_dist.xvg 250483 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/aa_volumes.xvg 915580 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/angle_E.dat 915545 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/bond_E.dat 930556 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/cg_vol_dist.xvg 915579 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/cg_volumes.dat 55830 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/cghexane.data 3420 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/coul_E.dat 915718 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/g_cnt.dat 95275 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/iterative_improvement.png 14196 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/iterative_improvement.xvg 915544 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/kinetic_E.dat 28463 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/lammps_angle_CT-CM-CT.table 32515 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/lammps_bond_CT-CM.table 116681 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/lammps_nb_CM-CM.table 116719 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/lammps_nb_CT-CM.table 116295 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/lammps_nb_CT-CT.table 2254514 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/log.txt 2251655 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/out.dat 116969232 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/outfile.xtc 915585 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/potential_E.dat 930754 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/press.dat 4244458 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/qsub.sh 139170 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/state1.restart 139170 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/state2.restart 915540 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/temp.dat 915608 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/vdw_E.dat 915545 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/vol.dat 91499 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/vol_dist_comp.png 10847 08-01-2018 10:41 hexane/pmatch/iter2/3-site/225K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/ 18 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/HEXpmatch_3.275.o2371180 42 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/Q.dat 256088 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/aa_vol_dist.xvg 250467 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/aa_volumes.xvg 915648 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/angle_E.dat 915562 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/bond_E.dat 930490 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/cg_vol_dist.xvg 915601 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/cg_volumes.dat 55852 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/cghexane.data 3420 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/coul_E.dat 915607 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/g_cnt.dat 107246 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/iterative_improvement.png 14249 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/iterative_improvement.xvg 915630 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/kinetic_E.dat 28524 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/lammps_angle_CT-CM-CT.table 32883 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/lammps_bond_CT-CM.table 116771 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/lammps_nb_CM-CM.table 116693 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/lammps_nb_CT-CM.table 116356 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/lammps_nb_CT-CT.table 2254514 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/log.txt 2251655 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/out.dat 118096452 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/outfile.xtc 915602 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/potential_E.dat 930650 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/press.dat 4244593 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/qsub.sh 139170 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/state1.restart 139170 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/state2.restart 915618 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/temp.dat 945560 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/vdw_E.dat 915561 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/vol.dat 86260 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/vol_dist_comp.png 10915 08-01-2018 10:41 hexane/pmatch/iter2/3-site/275K/vol_dist_comp.xvg 0 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/ 18 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/HEXpmatch_3.300.o2371207 42 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/Q.dat 256086 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/aa_vol_dist.xvg 250461 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/aa_volumes.xvg 915570 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/angle_E.dat 915654 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/bond_E.dat 930596 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/cg_vol_dist.xvg 915686 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/cg_volumes.dat 55875 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/cghexane.data 3420 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/cghexane.lmp 634 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/config.ini 318930 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/coul_E.dat 915610 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/enthalpy.dat 588 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/g_cnt.dat 97657 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/iterative_improvement.png 14258 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/iterative_improvement.xvg 915635 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/kinetic_E.dat 28557 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/lammps_angle_CT-CM-CT.table 32758 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/lammps_bond_CT-CM.table 116801 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/lammps_nb_CM-CM.table 116671 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/lammps_nb_CT-CM.table 116394 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/lammps_nb_CT-CT.table 2254511 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/log.txt 2251652 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/out.dat 118597724 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/outfile.xtc 915631 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/potential_E.dat 930656 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/press.dat 4244337 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/press_tens.dat 77 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/psi.dat 271 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/qsub.sh 139170 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/state1.restart 139170 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/state2.restart 915635 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/temp.dat 945622 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/vdw_E.dat 915573 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/vol.dat 87689 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/vol_dist_comp.png 10920 08-01-2018 10:41 hexane/pmatch/iter2/3-site/300K/vol_dist_comp.xvg 0 08-01-2018 10:42 hexane/pmatch/iter2/6-site/ 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/ 18 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/HEXpmatch_6.200.o2509583 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/HEXpmatch_6.200.o2539626 42 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/Q.dat 255801 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/aa_vol_dist.xvg 250482 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/aa_volumes.xvg 457288 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/angle_E.dat 458958 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/angle_E_restart.dat 457315 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/bond_E.dat 459020 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/bond_E_restart.dat 930661 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/cg_vol_dist.xvg 915615 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/cg_volumes.dat 132610 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/cghexane.data 3555 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/cghexane.lmp 636 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/config.ini 155734 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/coul_E.dat 163452 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/coul_E_restart.dat 472418 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/enthalpy.dat 473768 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/g_cnt.dat 84570 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/iterative_improvement.png 14140 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/iterative_improvement.xvg 457318 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/kinetic_E.dat 458922 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/kinetic_E_restart.dat 29061 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/lammps_angle_CI-CM-CM.table 29160 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/lammps_angle_CT-CI-CM.table 33614 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/lammps_bond_CI-CM.table 33728 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/lammps_bond_CM-CM.table 33808 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/lammps_bond_CT-CI.table 116837 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/lammps_nb_CI-CI.table 115861 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/lammps_nb_CI-CM.table 116379 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/lammps_nb_CM-CM.table 115885 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/lammps_nb_CT-CI.table 116834 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/lammps_nb_CT-CM.table 115969 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/lammps_nb_CT-CT.table 1119233 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/log.txt 1138333 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/out.dat 1115899 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/out_restart.dat 101138112 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/outfile.xtc 472467 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/potential_E.dat 473766 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/potential_E_restart.dat 464824 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/press.dat 930442 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/press_cat.dat 466289 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/press_restart.dat 2139919 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/press_tens.dat 2107234 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/press_tens_restart.dat 79 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/qsub.sh 3877 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/state2_rs.restart 457418 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/temp.dat 915715 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/temp_cat.dat 458950 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/temp_restart.dat 472510 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/vdw_E.dat 473795 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/vdw_E_restart.dat 457390 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/vol.dat 915642 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/vol_cat.dat 71026 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/vol_dist_comp.png 10831 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/vol_dist_comp.xvg 458908 08-01-2018 10:41 hexane/pmatch/iter2/6-site/200K/vol_restart.dat 0 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/ 18 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/AA_g_cnt.dat 0 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/CG_Q.dat 18 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/CG_g_cnt.dat 0 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/HEXpmatch_6.225.o2492556 0 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/HEXpmatch_6.225.o2509590 42 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/Q.dat 255967 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/aa_pressures.xvg 399 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/aa_vol_dist.xvg 250483 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/aa_volumes.xvg 494923 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/angle_E.dat 421360 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/angle_E_restart.dat 494924 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/bond_E.dat 421308 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/bond_E_restart.dat 930738 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/cg_pressures.dat 399 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/cg_vol_dist.xvg 915513 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/cg_volumes.dat 132655 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/cghexane.data 3555 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/cghexane.lmp 636 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/config.ini 169121 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/coul_E.dat 150065 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/coul_E_restart.dat 511321 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/enthalpy.dat 435001 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/enthalpy_restart.dat 588 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/g_cnt.dat 91151 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/iterative_improvement.png 14125 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/iterative_improvement.xvg 494948 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/kinetic_E.dat 421283 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/kinetic_E_restart.dat 29135 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/lammps_angle_CI-CM-CM.table 29138 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/lammps_angle_CT-CI-CM.table 33616 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/lammps_bond_CI-CM.table 33689 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/lammps_bond_CM-CM.table 33790 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/lammps_bond_CT-CI.table 116839 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/lammps_nb_CI-CI.table 115851 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/lammps_nb_CI-CM.table 116071 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/lammps_nb_CM-CM.table 115881 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/lammps_nb_CT-CI.table 116837 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/lammps_nb_CT-CM.table 115928 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/lammps_nb_CT-CT.table 1027959 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/log.lammps 158 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/log.txt 1229607 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/out.dat 1024625 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/out_restart.dat 92869444 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/outfile.xtc 511367 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/potential_E.dat 434953 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/potential_E_restart.dat 503169 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/press.dat 930592 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/press_cat.dat 428091 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/press_restart.dat 2312429 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/press_tens.dat 1934555 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/press_tens_restart.dat 79 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/psi.dat 278 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/qsub.sh 3877 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/restart.lmp 300914 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/state1.restart 300914 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/state1_rs.restart 300914 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/state2.restart 300914 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/state2_rs.restart 494976 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/temp.dat 915612 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/temp_cat.dat 421293 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/temp_restart.dat 511375 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/vdw_E.dat 434997 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/vdw_E_restart.dat 494923 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/vol.dat 915645 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/vol_cat.dat 74677 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/vol_dist_comp.png 10812 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/vol_dist_comp.xvg 421378 08-01-2018 10:42 hexane/pmatch/iter2/6-site/225K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/ 18 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/HEXpmatch_6.250.o2483498 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/HEXpmatch_6.250.o2509593 42 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/Q.dat 255971 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/aa_vol_dist.xvg 250481 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/aa_volumes.xvg 559634 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/angle_E.dat 356658 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/angle_E_restart.dat 559574 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/bond_E.dat 356600 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/bond_E_restart.dat 930720 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/cg_vol_dist.xvg 915559 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/cg_volumes.dat 131502 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/cghexane.data 3555 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/cghexane.lmp 636 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/config.ini 192166 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/coul_E.dat 127020 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/coul_E_restart.dat 575080 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/enthalpy.dat 366218 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/g_cnt.dat 95929 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/iterative_improvement.png 14214 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/iterative_improvement.xvg 559739 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/kinetic_E.dat 356558 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/kinetic_E_restart.dat 28938 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/lammps_angle_CI-CM-CM.table 29181 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/lammps_angle_CT-CI-CM.table 33682 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/lammps_bond_CI-CM.table 33279 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/lammps_bond_CM-CM.table 33581 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/lammps_bond_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/lammps_nb_CI-CI.table 115875 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/lammps_nb_CI-CM.table 115970 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/lammps_nb_CM-CM.table 115870 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/lammps_nb_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/lammps_nb_CT-CM.table 115927 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/lammps_nb_CT-CT.table 870835 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/log.txt 1386733 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/out.dat 867499 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/out_restart.dat 78902856 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/outfile.xtc 578095 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/potential_E.dat 368122 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/potential_E_restart.dat 568900 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/press.dat 930672 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/press_cat.dat 362438 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/press_restart.dat 2616128 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/press_tens.dat 1641561 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/press_tens_restart.dat 78 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/qsub.sh 3877 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/state2_rs.restart 559617 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/temp.dat 915564 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/temp_cat.dat 356604 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/temp_restart.dat 578147 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/vdw_E.dat 368178 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/vdw_E_restart.dat 559637 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/vol.dat 915602 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/vol_cat.dat 71136 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/vol_dist_comp.png 10876 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/vol_dist_comp.xvg 356620 08-01-2018 10:41 hexane/pmatch/iter2/6-site/250K/vol_restart.dat 0 08-01-2018 10:42 hexane/pmatch/iter2/6-site/275K/ 18 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/HEXpmatch_6.275.o2479474 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/HEXpmatch_6.275.o2509603 42 08-01-2018 10:42 hexane/pmatch/iter2/6-site/275K/Q.dat 256088 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/aa_vol_dist.xvg 250467 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/aa_volumes.xvg 659189 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/angle_E.dat 257054 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/angle_E_restart.dat 659163 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/bond_E.dat 257080 08-01-2018 10:42 hexane/pmatch/iter2/6-site/275K/bond_E_restart.dat 930450 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/cg_vol_dist.xvg 915630 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/cg_volumes.dat 131524 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/cghexane.data 3562 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/cghexane.lmp 636 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/config.ini 227619 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/coul_E.dat 91567 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/coul_E_restart.dat 660306 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/enthalpy.dat 257557 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/g_cnt.dat 117706 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/iterative_improvement.png 14268 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/iterative_improvement.xvg 659159 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/kinetic_E.dat 257066 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/kinetic_E_restart.dat 29004 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/lammps_angle_CI-CM-CM.table 28984 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/lammps_angle_CT-CI-CM.table 33794 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/lammps_bond_CI-CM.table 33868 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/lammps_bond_CM-CM.table 33787 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/lammps_bond_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/lammps_nb_CI-CI.table 115852 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/lammps_nb_CI-CM.table 115945 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/lammps_nb_CM-CM.table 115879 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/lammps_nb_CT-CI.table 116841 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/lammps_nb_CT-CM.table 115925 08-01-2018 10:42 hexane/pmatch/iter2/6-site/275K/lammps_nb_CT-CT.table 629122 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/log.txt 1628456 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/out.dat 625780 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/out_restart.dat 56892888 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/outfile.xtc 680856 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/potential_E.dat 265387 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/potential_E_restart.dat 669971 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/press.dat 930569 08-01-2018 10:42 hexane/pmatch/iter2/6-site/275K/press_cat.dat 261268 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/press_restart.dat 3105083 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/press_tens.dat 1195171 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/press_tens_restart.dat 75 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/qsub.sh 3883 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/state2_rs.restart 659169 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/temp.dat 915557 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/temp_cat.dat 257045 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/temp_restart.dat 680863 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/vdw_E.dat 265360 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/vdw_E_restart.dat 659233 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/vol.dat 915667 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/vol_cat.dat 91473 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/vol_dist_comp.png 10921 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/vol_dist_comp.xvg 257087 08-01-2018 10:41 hexane/pmatch/iter2/6-site/275K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/ 18 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/HEXpmatch_6.325.o2475958 0 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/HEXpmatch_6.325.o2509607 42 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/Q.dat 256033 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/aa_vol_dist.xvg 250476 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/aa_volumes.xvg 804933 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/angle_E.dat 111328 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/angle_E_restart.dat 804878 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/bond_E.dat 111341 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/bond_E_restart.dat 930774 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/cg_vol_dist.xvg 915631 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/cg_volumes.dat 131580 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/cghexane.data 3561 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/cghexane.lmp 635 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/config.ini 279506 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/coul_E.dat 39680 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/coul_E_restart.dat 804789 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/enthalpy.dat 111343 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/g_cnt.dat 94576 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/iterative_improvement.png 14268 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/iterative_improvement.xvg 804756 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/kinetic_E.dat 111361 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/kinetic_E_restart.dat 29112 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/lammps_angle_CI-CM-CM.table 29062 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/lammps_angle_CT-CI-CM.table 33797 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/lammps_bond_CI-CM.table 33775 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/lammps_bond_CM-CM.table 33886 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/lammps_bond_CT-CI.table 116829 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/lammps_nb_CI-CI.table 115898 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/lammps_nb_CI-CM.table 115938 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/lammps_nb_CM-CM.table 115876 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/lammps_nb_CT-CI.table 116848 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/lammps_nb_CT-CM.table 115924 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/lammps_nb_CT-CT.table 275344 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/log.txt 1982230 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/out.dat 272003 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/out_restart.dat 24654460 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/outfile.xtc 831179 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/potential_E.dat 114952 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/potential_E_restart.dat 818250 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/press.dat 930787 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/press_cat.dat 113203 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/press_restart.dat 3768696 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/press_tens.dat 515683 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/press_tens_restart.dat 74 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/qsub.sh 3882 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/state2_rs.restart 804908 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/temp.dat 915586 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/temp_cat.dat 111334 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/temp_restart.dat 831273 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/vdw_E.dat 114977 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/vdw_E_restart.dat 804940 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/vol.dat 915674 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/vol_cat.dat 86894 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/vol_dist_comp.png 10919 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/vol_dist_comp.xvg 111389 08-01-2018 10:41 hexane/pmatch/iter2/6-site/325K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter3/ 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/ 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/ 18 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/HEXpmatch_6.225.o2539540 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/HEXpmatch_6.225.o3466168 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/HEXpmatch_6.225.o3485715 42 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/Q.dat 255967 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/aa_vol_dist.xvg 250483 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/aa_volumes.xvg 560817 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/angle_E.dat 8685 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/angle_E_restart-part2.dat 346945 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/angle_E_restart.dat 560857 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/bond_E.dat 8688 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/bond_E_restart-part2.dat 346886 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/bond_E_restart.dat 930592 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/cg_vol_dist.xvg 915645 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/cg_volumes.dat 132655 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/cghexane.data 3555 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/cghexane.lmp 636 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/config.ini 192584 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/coul_E.dat 3116 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/coul_E_restart-part2.dat 123566 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/coul_E_restart.dat 579341 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/enthalpy.dat 8970 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/enthalpy_restart-part2.dat 358095 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/g_cnt.dat 89161 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/iterative_improvement.png 15765 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/iterative_improvement.xvg 560846 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/kinetic_E.dat 8677 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/kinetic_E_restart-part2.dat 346901 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/kinetic_E_restart.dat 29135 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/lammps_angle_CI-CM-CM.table 29138 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/lammps_angle_CT-CI-CM.table 33616 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/lammps_bond_CI-CM.table 33689 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/lammps_bond_CM-CM.table 33790 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/lammps_bond_CT-CI.table 116839 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/lammps_nb_CI-CI.table 115851 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/lammps_nb_CI-CM.table 116071 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/lammps_nb_CM-CM.table 115881 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/lammps_nb_CT-CI.table 116837 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/lammps_nb_CT-CM.table 115928 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/lammps_nb_CT-CT.table 26102 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/log.txt 1389580 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/out.dat 23339 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/out_restart-part2.dat 843300 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/out_restart.dat 1915180 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/outfile.xtc 579378 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/potential_E.dat 8964 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/potential_E_restart-part2.dat 358206 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/potential_E_restart.dat 570076 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/press.dat 930564 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/press_cat.dat 8816 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/press_restart-part2.dat 352507 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/press_restart.dat 2615279 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/press_tens.dat 39792 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/press_tens_restart-part2.dat 1592811 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/press_tens_restart.dat 79 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/psi.dat 290 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/qsub.sh 3946 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/restart-part2.lmp 3877 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/state1_rs2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/state2_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/state2_rs2.restart 560828 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/temp.dat 915628 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/temp_cat.dat 8674 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/temp_restart-part2.dat 346944 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/temp_restart.dat 579305 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/vdw_E.dat 8968 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/vdw_E_restart-part2.dat 358159 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/vdw_E_restart.dat 560816 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/vol.dat 915608 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/vol_cat.dat 68667 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/vol_dist_comp.png 10797 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/vol_dist_comp.xvg 8689 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/vol_restart-part2.dat 346919 08-01-2018 10:41 hexane/pmatch/iter3/6-site/225K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/ 18 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/HEXpmatch_6.250.o2539578 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/HEXpmatch_6.250.o3466170 42 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/Q.dat 255971 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/aa_vol_dist.xvg 250481 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/aa_volumes.xvg 619261 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/angle_E.dat 297101 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/angle_E_restart.dat 619217 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/bond_E.dat 297106 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/bond_E_restart.dat 930672 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/cg_vol_dist.xvg 915602 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/cg_volumes.dat 131502 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/cghexane.data 3555 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/cghexane.lmp 636 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/config.ini 213396 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/coul_E.dat 105834 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/coul_E_restart.dat 636355 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/enthalpy.dat 305233 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/g_cnt.dat 105766 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/iterative_improvement.png 15904 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/iterative_improvement.xvg 619317 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/kinetic_E.dat 297184 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/kinetic_E_restart.dat 28938 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/lammps_angle_CI-CM-CM.table 29181 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/lammps_angle_CT-CI-CM.table 33682 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/lammps_bond_CI-CM.table 33279 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/lammps_bond_CM-CM.table 33581 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/lammps_bond_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/lammps_nb_CI-CI.table 115875 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/lammps_nb_CI-CM.table 115970 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/lammps_nb_CM-CM.table 115870 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/lammps_nb_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/lammps_nb_CT-CM.table 115927 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/lammps_nb_CT-CT.table 726385 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/log.txt 1531482 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/out.dat 723693 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/out_restart.dat 65733740 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/outfile.xtc 639682 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/potential_E.dat 306762 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/potential_E_restart.dat 629532 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/press.dat 930747 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/press_cat.dat 302006 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/press_restart.dat 2888974 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/press_tens.dat 1366838 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/press_tens_restart.dat 78 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/qsub.sh 3876 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/state2_rs.restart 619248 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/temp.dat 915574 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/temp_cat.dat 297106 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/temp_restart.dat 639667 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/vdw_E.dat 306760 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/vdw_E_restart.dat 619231 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/vol.dat 915575 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/vol_cat.dat 77845 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/vol_dist_comp.png 10879 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/vol_dist_comp.xvg 297123 08-01-2018 10:41 hexane/pmatch/iter3/6-site/250K/vol_restart.dat 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/ 18 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/AA_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/CG_Q.dat 18 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/CG_g_cnt.dat 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/HEXpmatch_6.275.o2525382 0 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/HEXpmatch_6.275.o2564026 42 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/Q.dat 256088 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/aa_pressures.xvg 399 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/aa_vol_dist.xvg 250467 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/aa_volumes.xvg 676712 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/angle_E.dat 239551 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/angle_E_restart.dat 676545 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/bond_E.dat 239609 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/bond_E_restart.dat 930569 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/cg_pressures.dat 399 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/cg_vol_dist.xvg 915667 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/cg_volumes.dat 131524 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/cghexane.data 3562 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/cghexane.lmp 635 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/config.ini 233834 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/coul_E.dat 85352 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/coul_E_restart.dat 677939 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/enthalpy.dat 239990 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/enthalpy_restart.dat 588 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/error_cg_vol_dist.xvg 18 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/g_cnt.dat 120982 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/iterative_improvement.png 15959 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/iterative_improvement.xvg 676593 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/kinetic_E.dat 239628 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/kinetic_E_restart.dat 29004 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/lammps_angle_CI-CM-CM.table 28984 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/lammps_angle_CT-CI-CM.table 33794 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/lammps_bond_CI-CM.table 33868 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/lammps_bond_CM-CM.table 33787 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/lammps_bond_CT-CI.table 116840 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/lammps_nb_CI-CI.table 115852 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/lammps_nb_CI-CM.table 115945 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/lammps_nb_CM-CM.table 115879 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/lammps_nb_CT-CI.table 116841 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/lammps_nb_CT-CM.table 115925 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/lammps_nb_CT-CT.table 586742 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/log.lammps 158 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/log.txt 1670830 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/out.dat 583402 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/out_restart.dat 53033852 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/outfile.xtc 698931 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/potential_E.dat 247320 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/potential_E_restart.dat 687707 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/press.dat 930616 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/press_cat.dat 243577 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/press_restart.dat 3185928 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/press_tens.dat 1113724 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/press_tens_restart.dat 75 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/psi.dat 278 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/qsub.sh 3883 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/restart.lmp 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/state1.restart 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/state1_rs.restart 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/state2.restart 300914 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/state2_rs.restart 676531 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/temp.dat 915531 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/temp_cat.dat 239655 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/temp_restart.dat 698901 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/vdw_E.dat 247377 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/vdw_E_restart.dat 676603 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/vol.dat 915579 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/vol_cat.dat 86275 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/vol_dist_comp.png 10923 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/vol_dist_comp.xvg 239631 08-01-2018 10:41 hexane/pmatch/iter3/6-site/275K/vol_restart.dat 2887 08-01-2018 10:41 hexane/pmatch/xvg_distro.py 0 08-01-2018 10:44 hexane/tables/ 291097 08-01-2018 10:44 hexane/tables/1.NPT.200_CACA.xvg 291097 08-01-2018 10:44 hexane/tables/1.NPT.225_CACA.xvg 291097 08-01-2018 10:44 hexane/tables/1.NPT.250_CACA.xvg 291097 08-01-2018 10:44 hexane/tables/1.NPT.275_CACA.xvg 291097 08-01-2018 10:44 hexane/tables/1.NPT.300_CACA.xvg 291303 08-01-2018 10:44 hexane/tables/1.NPT.325_CACA.xvg 291684 08-01-2018 10:44 hexane/tables/1.NVT.200_CACA.xvg 291271 08-01-2018 10:44 hexane/tables/1.NVT.225_CACA.xvg 291097 08-01-2018 10:44 hexane/tables/1.NVT.250_CACA.xvg 291097 08-01-2018 10:44 hexane/tables/1.NVT.275_CACA.xvg 291097 08-01-2018 10:44 hexane/tables/1.NVT.300_CACA.xvg 291097 08-01-2018 10:44 hexane/tables/1.NVT.325_CACA.xvg 291425 08-01-2018 10:44 hexane/tables/3.NPT.200_CMCM.xvg 291936 08-01-2018 10:44 hexane/tables/3.NPT.200_CTCM.xvg 291493 08-01-2018 10:44 hexane/tables/3.NPT.200_CTCT.xvg 29710 08-01-2018 10:44 hexane/tables/3.NPT.200_angle.xvg 33139 08-01-2018 10:44 hexane/tables/3.NPT.200_bond.xvg 291892 08-01-2018 10:44 hexane/tables/3.NPT.225_CMCM.xvg 291937 08-01-2018 10:44 hexane/tables/3.NPT.225_CTCM.xvg 291500 08-01-2018 10:44 hexane/tables/3.NPT.225_CTCT.xvg 29713 08-01-2018 10:44 hexane/tables/3.NPT.225_angle.xvg 33139 08-01-2018 10:44 hexane/tables/3.NPT.225_bond.xvg 292029 08-01-2018 10:44 hexane/tables/3.NPT.250_CMCM.xvg 291816 08-01-2018 10:44 hexane/tables/3.NPT.250_CTCM.xvg 291510 08-01-2018 10:44 hexane/tables/3.NPT.250_CTCT.xvg 29704 08-01-2018 10:44 hexane/tables/3.NPT.250_angle.xvg 33139 08-01-2018 10:44 hexane/tables/3.NPT.250_bond.xvg 291975 08-01-2018 10:44 hexane/tables/3.NPT.275_CMCM.xvg 291903 08-01-2018 10:44 hexane/tables/3.NPT.275_CTCM.xvg 291555 08-01-2018 10:44 hexane/tables/3.NPT.275_CTCT.xvg 29700 08-01-2018 10:44 hexane/tables/3.NPT.275_angle.xvg 33138 08-01-2018 10:44 hexane/tables/3.NPT.275_bond.xvg 292005 08-01-2018 10:44 hexane/tables/3.NPT.300_CMCM.xvg 291879 08-01-2018 10:44 hexane/tables/3.NPT.300_CTCM.xvg 291593 08-01-2018 10:44 hexane/tables/3.NPT.300_CTCT.xvg 29697 08-01-2018 10:44 hexane/tables/3.NPT.300_angle.xvg 33138 08-01-2018 10:44 hexane/tables/3.NPT.300_bond.xvg 291610 08-01-2018 10:44 hexane/tables/3.NPT.325_CMCM.xvg 291949 08-01-2018 10:44 hexane/tables/3.NPT.325_CTCM.xvg 291661 08-01-2018 10:44 hexane/tables/3.NPT.325_CTCT.xvg 29696 08-01-2018 10:44 hexane/tables/3.NPT.325_angle.xvg 33138 08-01-2018 10:44 hexane/tables/3.NPT.325_bond.xvg 291412 08-01-2018 10:44 hexane/tables/3.NVT.200_CMCM.xvg 291937 08-01-2018 10:44 hexane/tables/3.NVT.200_CTCM.xvg 291918 08-01-2018 10:44 hexane/tables/3.NVT.200_CTCT.xvg 29721 08-01-2018 10:44 hexane/tables/3.NVT.200_angle.xvg 33141 08-01-2018 10:44 hexane/tables/3.NVT.200_bond.xvg 291856 08-01-2018 10:44 hexane/tables/3.NVT.225_CMCM.xvg 291922 08-01-2018 10:44 hexane/tables/3.NVT.225_CTCM.xvg 291731 08-01-2018 10:44 hexane/tables/3.NVT.225_CTCT.xvg 29711 08-01-2018 10:44 hexane/tables/3.NVT.225_angle.xvg 33141 08-01-2018 10:44 hexane/tables/3.NVT.225_bond.xvg 291648 08-01-2018 10:44 hexane/tables/3.NVT.250_CMCM.xvg 291895 08-01-2018 10:44 hexane/tables/3.NVT.250_CTCM.xvg 291622 08-01-2018 10:44 hexane/tables/3.NVT.250_CTCT.xvg 29707 08-01-2018 10:44 hexane/tables/3.NVT.250_angle.xvg 33139 08-01-2018 10:44 hexane/tables/3.NVT.250_bond.xvg 291885 08-01-2018 10:44 hexane/tables/3.NVT.275_CMCM.xvg 291902 08-01-2018 10:44 hexane/tables/3.NVT.275_CTCM.xvg 291625 08-01-2018 10:44 hexane/tables/3.NVT.275_CTCT.xvg 29699 08-01-2018 10:44 hexane/tables/3.NVT.275_angle.xvg 33139 08-01-2018 10:44 hexane/tables/3.NVT.275_bond.xvg 291830 08-01-2018 10:44 hexane/tables/3.NVT.300_CMCM.xvg 291942 08-01-2018 10:44 hexane/tables/3.NVT.300_CTCM.xvg 291591 08-01-2018 10:44 hexane/tables/3.NVT.300_CTCT.xvg 29696 08-01-2018 10:44 hexane/tables/3.NVT.300_angle.xvg 33138 08-01-2018 10:44 hexane/tables/3.NVT.300_bond.xvg 291580 08-01-2018 10:44 hexane/tables/3.NVT.325_CMCM.xvg 291920 08-01-2018 10:44 hexane/tables/3.NVT.325_CTCM.xvg 291532 08-01-2018 10:44 hexane/tables/3.NVT.325_CTCT.xvg 29694 08-01-2018 10:44 hexane/tables/3.NVT.325_angle.xvg 33138 08-01-2018 10:44 hexane/tables/3.NVT.325_bond.xvg 292110 08-01-2018 10:44 hexane/tables/6.NPT.200_CICI.xvg 291122 08-01-2018 10:44 hexane/tables/6.NPT.200_CICM.xvg 291641 08-01-2018 10:44 hexane/tables/6.NPT.200_CMCM.xvg 291151 08-01-2018 10:44 hexane/tables/6.NPT.200_CTCI.xvg 292103 08-01-2018 10:44 hexane/tables/6.NPT.200_CTCM.xvg 291242 08-01-2018 10:44 hexane/tables/6.NPT.200_CTCT.xvg 29874 08-01-2018 10:44 hexane/tables/6.NPT.200_angle_CICMCM.xvg 29863 08-01-2018 10:44 hexane/tables/6.NPT.200_angle_CTCICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NPT.200_bond_CICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NPT.200_bond_CMCM.xvg 33308 08-01-2018 10:44 hexane/tables/6.NPT.200_bond_CTCI.xvg 292110 08-01-2018 10:44 hexane/tables/6.NPT.225_CICI.xvg 291111 08-01-2018 10:44 hexane/tables/6.NPT.225_CICM.xvg 291330 08-01-2018 10:44 hexane/tables/6.NPT.225_CMCM.xvg 291143 08-01-2018 10:44 hexane/tables/6.NPT.225_CTCI.xvg 292104 08-01-2018 10:44 hexane/tables/6.NPT.225_CTCM.xvg 291198 08-01-2018 10:44 hexane/tables/6.NPT.225_CTCT.xvg 29874 08-01-2018 10:44 hexane/tables/6.NPT.225_angle_CICMCM.xvg 29862 08-01-2018 10:44 hexane/tables/6.NPT.225_angle_CTCICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NPT.225_bond_CICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NPT.225_bond_CMCM.xvg 33308 08-01-2018 10:44 hexane/tables/6.NPT.225_bond_CTCI.xvg 292108 08-01-2018 10:44 hexane/tables/6.NPT.250_CICI.xvg 291133 08-01-2018 10:44 hexane/tables/6.NPT.250_CICM.xvg 291228 08-01-2018 10:44 hexane/tables/6.NPT.250_CMCM.xvg 291129 08-01-2018 10:44 hexane/tables/6.NPT.250_CTCI.xvg 292104 08-01-2018 10:44 hexane/tables/6.NPT.250_CTCM.xvg 291194 08-01-2018 10:44 hexane/tables/6.NPT.250_CTCT.xvg 29873 08-01-2018 10:44 hexane/tables/6.NPT.250_angle_CICMCM.xvg 29862 08-01-2018 10:44 hexane/tables/6.NPT.250_angle_CTCICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NPT.250_bond_CICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NPT.250_bond_CMCM.xvg 33308 08-01-2018 10:44 hexane/tables/6.NPT.250_bond_CTCI.xvg 292108 08-01-2018 10:44 hexane/tables/6.NPT.275_CICI.xvg 291108 08-01-2018 10:44 hexane/tables/6.NPT.275_CICM.xvg 291200 08-01-2018 10:44 hexane/tables/6.NPT.275_CMCM.xvg 291133 08-01-2018 10:44 hexane/tables/6.NPT.275_CTCI.xvg 292104 08-01-2018 10:44 hexane/tables/6.NPT.275_CTCM.xvg 291189 08-01-2018 10:44 hexane/tables/6.NPT.275_CTCT.xvg 29872 08-01-2018 10:44 hexane/tables/6.NPT.275_angle_CICMCM.xvg 29861 08-01-2018 10:44 hexane/tables/6.NPT.275_angle_CTCICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NPT.275_bond_CICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NPT.275_bond_CMCM.xvg 33308 08-01-2018 10:44 hexane/tables/6.NPT.275_bond_CTCI.xvg 292109 08-01-2018 10:44 hexane/tables/6.NPT.300_CICI.xvg 291097 08-01-2018 10:44 hexane/tables/6.NPT.300_CICM.xvg 291197 08-01-2018 10:44 hexane/tables/6.NPT.300_CMCM.xvg 291131 08-01-2018 10:44 hexane/tables/6.NPT.300_CTCI.xvg 292105 08-01-2018 10:44 hexane/tables/6.NPT.300_CTCM.xvg 291185 08-01-2018 10:44 hexane/tables/6.NPT.300_CTCT.xvg 29871 08-01-2018 10:44 hexane/tables/6.NPT.300_angle_CICMCM.xvg 29861 08-01-2018 10:44 hexane/tables/6.NPT.300_angle_CTCICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NPT.300_bond_CICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NPT.300_bond_CMCM.xvg 33308 08-01-2018 10:44 hexane/tables/6.NPT.300_bond_CTCI.xvg 292094 08-01-2018 10:44 hexane/tables/6.NPT.325_CICI.xvg 291149 08-01-2018 10:44 hexane/tables/6.NPT.325_CICM.xvg 291189 08-01-2018 10:44 hexane/tables/6.NPT.325_CMCM.xvg 291123 08-01-2018 10:44 hexane/tables/6.NPT.325_CTCI.xvg 292106 08-01-2018 10:44 hexane/tables/6.NPT.325_CTCM.xvg 291182 08-01-2018 10:44 hexane/tables/6.NPT.325_CTCT.xvg 29871 08-01-2018 10:44 hexane/tables/6.NPT.325_angle_CICMCM.xvg 29860 08-01-2018 10:44 hexane/tables/6.NPT.325_angle_CTCICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NPT.325_bond_CICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NPT.325_bond_CMCM.xvg 33308 08-01-2018 10:44 hexane/tables/6.NPT.325_bond_CTCI.xvg 292111 08-01-2018 10:44 hexane/tables/6.NVT.200_CICI.xvg 291097 08-01-2018 10:44 hexane/tables/6.NVT.200_CICM.xvg 291313 08-01-2018 10:44 hexane/tables/6.NVT.200_CMCM.xvg 291131 08-01-2018 10:44 hexane/tables/6.NVT.200_CTCI.xvg 292103 08-01-2018 10:44 hexane/tables/6.NVT.200_CTCM.xvg 291198 08-01-2018 10:44 hexane/tables/6.NVT.200_CTCT.xvg 29874 08-01-2018 10:44 hexane/tables/6.NVT.200_angle_CICMCM.xvg 29863 08-01-2018 10:44 hexane/tables/6.NVT.200_angle_CTCICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NVT.200_bond_CICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NVT.200_bond_CMCM.xvg 33308 08-01-2018 10:44 hexane/tables/6.NVT.200_bond_CTCI.xvg 292111 08-01-2018 10:44 hexane/tables/6.NVT.225_CICI.xvg 291097 08-01-2018 10:44 hexane/tables/6.NVT.225_CICM.xvg 291302 08-01-2018 10:44 hexane/tables/6.NVT.225_CMCM.xvg 291126 08-01-2018 10:44 hexane/tables/6.NVT.225_CTCI.xvg 292104 08-01-2018 10:44 hexane/tables/6.NVT.225_CTCM.xvg 291191 08-01-2018 10:44 hexane/tables/6.NVT.225_CTCT.xvg 29874 08-01-2018 10:44 hexane/tables/6.NVT.225_angle_CICMCM.xvg 29862 08-01-2018 10:44 hexane/tables/6.NVT.225_angle_CTCICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NVT.225_bond_CICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NVT.225_bond_CMCM.xvg 33308 08-01-2018 10:44 hexane/tables/6.NVT.225_bond_CTCI.xvg 292110 08-01-2018 10:44 hexane/tables/6.NVT.250_CICI.xvg 291097 08-01-2018 10:44 hexane/tables/6.NVT.250_CICM.xvg 291228 08-01-2018 10:44 hexane/tables/6.NVT.250_CMCM.xvg 291127 08-01-2018 10:44 hexane/tables/6.NVT.250_CTCI.xvg 292104 08-01-2018 10:44 hexane/tables/6.NVT.250_CTCM.xvg 291188 08-01-2018 10:44 hexane/tables/6.NVT.250_CTCT.xvg 29873 08-01-2018 10:44 hexane/tables/6.NVT.250_angle_CICMCM.xvg 29862 08-01-2018 10:44 hexane/tables/6.NVT.250_angle_CTCICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NVT.250_bond_CICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NVT.250_bond_CMCM.xvg 33308 08-01-2018 10:44 hexane/tables/6.NVT.250_bond_CTCI.xvg 292108 08-01-2018 10:44 hexane/tables/6.NVT.275_CICI.xvg 291097 08-01-2018 10:44 hexane/tables/6.NVT.275_CICM.xvg 291204 08-01-2018 10:44 hexane/tables/6.NVT.275_CMCM.xvg 291127 08-01-2018 10:44 hexane/tables/6.NVT.275_CTCI.xvg 292104 08-01-2018 10:44 hexane/tables/6.NVT.275_CTCM.xvg 291188 08-01-2018 10:44 hexane/tables/6.NVT.275_CTCT.xvg 29872 08-01-2018 10:44 hexane/tables/6.NVT.275_angle_CICMCM.xvg 29861 08-01-2018 10:44 hexane/tables/6.NVT.275_angle_CTCICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NVT.275_bond_CICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NVT.275_bond_CMCM.xvg 33308 08-01-2018 10:44 hexane/tables/6.NVT.275_bond_CTCI.xvg 292108 08-01-2018 10:44 hexane/tables/6.NVT.300_CICI.xvg 291104 08-01-2018 10:44 hexane/tables/6.NVT.300_CICM.xvg 291195 08-01-2018 10:44 hexane/tables/6.NVT.300_CMCM.xvg 291125 08-01-2018 10:44 hexane/tables/6.NVT.300_CTCI.xvg 292105 08-01-2018 10:44 hexane/tables/6.NVT.300_CTCM.xvg 291186 08-01-2018 10:44 hexane/tables/6.NVT.300_CTCT.xvg 29872 08-01-2018 10:44 hexane/tables/6.NVT.300_angle_CICMCM.xvg 29861 08-01-2018 10:44 hexane/tables/6.NVT.300_angle_CTCICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NVT.300_bond_CICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NVT.300_bond_CMCM.xvg 33308 08-01-2018 10:44 hexane/tables/6.NVT.300_bond_CTCI.xvg 292108 08-01-2018 10:44 hexane/tables/6.NVT.325_CICI.xvg 291100 08-01-2018 10:44 hexane/tables/6.NVT.325_CICM.xvg 291190 08-01-2018 10:44 hexane/tables/6.NVT.325_CMCM.xvg 291125 08-01-2018 10:44 hexane/tables/6.NVT.325_CTCI.xvg 292105 08-01-2018 10:44 hexane/tables/6.NVT.325_CTCM.xvg 291184 08-01-2018 10:44 hexane/tables/6.NVT.325_CTCT.xvg 29871 08-01-2018 10:44 hexane/tables/6.NVT.325_angle_CICMCM.xvg 29860 08-01-2018 10:44 hexane/tables/6.NVT.325_angle_CTCICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NVT.325_bond_CICM.xvg 33312 08-01-2018 10:44 hexane/tables/6.NVT.325_bond_CMCM.xvg 33308 08-01-2018 10:44 hexane/tables/6.NVT.325_bond_CTCI.xvg 78901 08-01-2018 10:44 hexane/tables/HEX.1.NVT_dUdT.png 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hexane/tables/force_regime_comp_HEX.1.NVT.png 4861 08-01-2018 10:44 hexane/tables/gen_force_plots.bat 3164 08-01-2018 10:44 hexane/tables/gen_plot.bat 1448 08-01-2018 10:44 hexane/tables/test.bat --------- ------- 3881982970 2563 files