===================================================== Content of ZIP archive alkane_XN_calcs-01.zip ===================================================== Archive: alkane_XN_calcs-01.zip Length Date Time Name --------- ---------- ----- ---- 0 04-18-2019 08:14 alkane_XN_calcs/ 0 06-05-2017 15:46 alkane_XN_calcs/AA_sims/ 0 06-05-2017 15:57 alkane_XN_calcs/AA_sims/butane/ 55261588 06-05-2017 15:56 alkane_XN_calcs/AA_sims/butane/butane.edr 168254 06-05-2017 15:56 alkane_XN_calcs/AA_sims/butane/butane.input.gro 3906 06-05-2017 15:57 alkane_XN_calcs/AA_sims/butane/butane.input.itp 2798 06-05-2017 15:56 alkane_XN_calcs/AA_sims/butane/butane.input.mdp 432 06-05-2017 15:56 alkane_XN_calcs/AA_sims/butane/butane.input.top 199688 06-05-2017 15:57 alkane_XN_calcs/AA_sims/butane/butane.tpr --------- ------- 55636666 9 files ===================================================== Content of ZIP archive alkane_XN_calcs-02.zip ===================================================== Archive: alkane_XN_calcs-02.zip Length Date Time Name --------- ---------- ----- ---- 12118769300 06-05-2017 15:54 alkane_XN_calcs/AA_sims/butane/butane.trr --------- ------- 12118769300 1 file ===================================================== Content of ZIP archive alkane_XN_calcs-03.zip ===================================================== Archive: alkane_XN_calcs-03.zip Length Date Time Name --------- ---------- ----- ---- 196 06-05-2017 15:57 alkane_XN_calcs/AA_sims/butane/qsub.sh 2082 06-05-2017 15:57 alkane_XN_calcs/AA_sims/butane/run_gmx.sh 0 06-05-2017 16:29 alkane_XN_calcs/AA_sims/decane/ 55261588 06-05-2017 16:09 alkane_XN_calcs/AA_sims/decane/decane.edr 384524 06-05-2017 16:28 alkane_XN_calcs/AA_sims/decane/decane.input.gro 9319 06-05-2017 16:29 alkane_XN_calcs/AA_sims/decane/decane.input.itp 2798 06-05-2017 16:28 alkane_XN_calcs/AA_sims/decane/decane.input.mdp 433 06-05-2017 16:28 alkane_XN_calcs/AA_sims/decane/decane.input.top 435308 06-05-2017 16:29 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16:06 alkane_XN_calcs/AA_sims/heptane/heptane.input.itp 2799 06-05-2017 16:06 alkane_XN_calcs/AA_sims/heptane/heptane.input.mdp 419 06-05-2017 16:06 alkane_XN_calcs/AA_sims/heptane/heptane.input.top 317492 06-05-2017 16:06 alkane_XN_calcs/AA_sims/heptane/heptane.tpr --------- ------- 56014960 9 files ===================================================== Content of ZIP archive alkane_XN_calcs-06.zip ===================================================== Archive: alkane_XN_calcs-06.zip Length Date Time Name --------- ---------- ----- ---- 19904662316 06-05-2017 16:04 alkane_XN_calcs/AA_sims/heptane/heptane.trr --------- ------- 19904662316 1 file ===================================================== Content of ZIP archive alkane_XN_calcs-07.zip ===================================================== Archive: alkane_XN_calcs-07.zip Length Date Time Name --------- ---------- ----- ---- 197 06-05-2017 16:07 alkane_XN_calcs/AA_sims/heptane/qsub.sh 2083 06-05-2017 16:07 alkane_XN_calcs/AA_sims/heptane/run_gmx.sh 0 06-05-2017 16:41 alkane_XN_calcs/CGFF/ 0 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/ 22709 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/Angle_comp.xvg 25739 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/BondStretch_comp.xvg 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/L.Angle.total.Angle_CT-CM-CM.dat 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/L.Angle.total.Angle_CT-CM-CT.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/L.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/L.BondStretch.total.Bond_CT-CM.dat 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/L.BondStretch.total.Bond_CT-CT.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/L.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/L.Pair_Interaction.total.CTCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/L.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/L_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/L_coeff.Pair_Interaction.total.CTCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/L_coeff.Pair_Interaction.total.CTCT.dat 60610 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/PairInteraction_comp.xvg 1745178 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/XN.o2081417 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_forces.Angle.total.Angle_CT-CM-CM.dat 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_forces.Angle.total.Angle_CT-CM-CT.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_forces.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_forces.BondStretch.total.Bond_CT-CM.dat 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_forces.BondStretch.total.Bond_CT-CT.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_forces.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_forces.Pair_Interaction.total.CTCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_forces.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_forces_coeff.Pair_Interaction.total.CTCT.dat 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_struct.Angle.total.Angle_CT-CM-CM.dat 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_struct.Angle.total.Angle_CT-CM-CT.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_struct.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_struct.BondStretch.total.Bond_CT-CM.dat 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_struct.BondStretch.total.Bond_CT-CT.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_struct.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_struct.Pair_Interaction.total.CTCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_struct.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/b_struct_coeff.Pair_Interaction.total.CTCT.dat 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_forces.Angle.total.Angle_CT-CM-CM.dat 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_forces.Angle.total.Angle_CT-CM-CT.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_forces.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_forces.BondStretch.total.Bond_CT-CM.dat 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_forces.BondStretch.total.Bond_CT-CT.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_forces.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_forces.Pair_Interaction.total.CTCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_forces.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_forces_coeff.Pair_Interaction.total.CTCT.dat 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_struct.Angle.total.Angle_CT-CM-CM.dat 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_struct.Angle.total.Angle_CT-CM-CT.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_struct.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_struct.BondStretch.total.Bond_CT-CM.dat 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_struct.BondStretch.total.Bond_CT-CT.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_struct.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_struct.Pair_Interaction.total.CTCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_struct.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/f_struct_coeff.Pair_Interaction.total.CTCT.dat 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g.Angle.total.Angle_CT-CM-CM.dat 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g.Angle.total.Angle_CT-CM-CT.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g.BondStretch.total.Bond_CT-CM.dat 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g.BondStretch.total.Bond_CT-CT.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g.Pair_Interaction.total.CTCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g.Pair_Interaction.total.CTCT.dat 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_cnt.Angle.total.Angle_CT-CM-CM.dat 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_cnt.Angle.total.Angle_CT-CM-CT.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_cnt.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_cnt.BondStretch.total.Bond_CT-CM.dat 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_cnt.BondStretch.total.Bond_CT-CT.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_cnt.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_cnt.Pair_Interaction.total.CTCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_cnt.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_coeff.Pair_Interaction.total.CTCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/g_coeff.Pair_Interaction.total.CTCT.dat 177 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/inp.txt 196897 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/log.txt 5853 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/out.total.txt 1788 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/par.txt 268 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/qsub.sh 24 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/save.FF.dat 41042 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/save.L.dat 43608060 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/save.M.dat 43445229 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/save.M2.dat 8 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/save.Nf.dat 40883 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/save.b_forces.dat 42040 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/save.b_struct.dat 43445229 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/save.d2M.dat 42671 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/save.d2b.dat 41329 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/save.g.dat 41116 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/save.g_cnt.dat 41116 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/save.rescale.dat 5726 06-05-2017 16:42 alkane_XN_calcs/CGFF/XN/summarize_input.txt 0 12-04-2017 14:13 alkane_XN_calcs/CGFF/butane/ 12564 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/BondStretch_comp.xvg 63124 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/CTCT_pairinteraction_comp.png 25430 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/CTCT_pairinteraction_comp.xvg 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/L.BondStretch.total.Bond_CT-CT.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/L.Pair_Interaction.total.CTCT.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/L_coeff.Pair_Interaction.total.CTCT.dat 25404 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/PairInteraction_comp.xvg 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/b_forces.BondStretch.total.Bond_CT-CT.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/b_forces.Pair_Interaction.total.CTCT.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/b_forces_coeff.Pair_Interaction.total.CTCT.dat 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/b_struct.BondStretch.total.Bond_CT-CT.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/b_struct.Pair_Interaction.total.CTCT.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/b_struct_coeff.Pair_Interaction.total.CTCT.dat 651656 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/cgff-butane.o2081403 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/f_forces.BondStretch.total.Bond_CT-CT.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/f_forces.Pair_Interaction.total.CTCT.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/f_forces_coeff.Pair_Interaction.total.CTCT.dat 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/f_struct.BondStretch.total.Bond_CT-CT.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/f_struct.Pair_Interaction.total.CTCT.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/f_struct_coeff.Pair_Interaction.total.CTCT.dat 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/g.BondStretch.total.Bond_CT-CT.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/g.Pair_Interaction.total.CTCT.dat 2263 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/g_cnt.BondStretch.total.Bond_CT-CT.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/g_cnt.Pair_Interaction.total.CTCT.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/g_coeff.Pair_Interaction.total.CTCT.dat 92 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/inp.txt 42509 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/log.txt 1504 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/out.total.txt 859 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/par.txt 264 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/qsub.sh 24 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/save.FF.dat 8968 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/save.L.dat 2124657 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/save.M.dat 2120932 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/save.M2.dat 7 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/save.Nf.dat 9036 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/save.b_forces.dat 9372 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/save.b_struct.dat 2120932 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/save.d2M.dat 9376 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/save.d2b.dat 9079 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/save.g.dat 9159 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/save.g_cnt.dat 9159 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/save.rescale.dat 2741 06-05-2017 16:42 alkane_XN_calcs/CGFF/butane/summarize_input.txt 0 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/ 15154 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/Angle_comp.xvg 20669 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/BondStretch_comp.xvg 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/L.Angle.total.Angle_CT-CM-CM.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/L.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/L.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/L.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/L.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/L.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/L_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/L_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/L_coeff.Pair_Interaction.total.CTCT.dat 60681 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/PairInteraction_comp.xvg 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_forces.Angle.total.Angle_CT-CM-CM.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_forces.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_forces.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_forces.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_forces.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_forces.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_forces_coeff.Pair_Interaction.total.CTCT.dat 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_struct.Angle.total.Angle_CT-CM-CM.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_struct.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_struct.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_struct.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_struct.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_struct.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/b_struct_coeff.Pair_Interaction.total.CTCT.dat 665242 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/cgff-decane.o2081405 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_forces.Angle.total.Angle_CT-CM-CM.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_forces.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_forces.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_forces.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_forces.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_forces.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_forces_coeff.Pair_Interaction.total.CTCT.dat 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_struct.Angle.total.Angle_CT-CM-CM.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_struct.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_struct.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_struct.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_struct.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_struct.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/f_struct_coeff.Pair_Interaction.total.CTCT.dat 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g.Angle.total.Angle_CT-CM-CM.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g.Pair_Interaction.total.CTCT.dat 5952 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g_cnt.Angle.total.Angle_CT-CM-CM.dat 4092 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g_cnt.BondStretch.total.Bond_CM-CM.dat 3441 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g_cnt.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g_cnt.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g_cnt.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g_cnt.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/g_coeff.Pair_Interaction.total.CTCT.dat 92 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/inp.txt 127837 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/log.txt 4204 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/out.total.txt 1497 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/par.txt 264 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/qsub.sh 24 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/save.FF.dat 26359 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/save.L.dat 18119036 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/save.M.dat 18000144 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/save.M2.dat 7 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/save.Nf.dat 26328 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/save.b_forces.dat 27006 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/save.b_struct.dat 18000144 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/save.d2M.dat 27840 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/save.d2b.dat 26660 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/save.g.dat 26729 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/save.g_cnt.dat 26729 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/save.rescale.dat 4573 06-05-2017 16:42 alkane_XN_calcs/CGFF/decane/summarize_input.txt 0 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/ 15031 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/Angle_comp.xvg 13766 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/BondStretch_comp.xvg 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/L.Angle.total.Angle_CT-CM-CT.dat 3472 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/L.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/L.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/L.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/L.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/L_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/L_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/L_coeff.Pair_Interaction.total.CTCT.dat 60788 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/PairInteraction_comp.xvg 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_forces.Angle.total.Angle_CT-CM-CT.dat 3472 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_forces.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_forces.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_forces.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_forces.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_forces_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_forces_coeff.Pair_Interaction.total.CTCT.dat 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_struct.Angle.total.Angle_CT-CM-CT.dat 3472 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_struct.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_struct.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_struct.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_struct.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_struct_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/b_struct_coeff.Pair_Interaction.total.CTCT.dat 666758 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/cgff-heptane.o2081404 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_forces.Angle.total.Angle_CT-CM-CT.dat 3472 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_forces.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_forces.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_forces.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_forces.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_forces_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_forces_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_forces_coeff.Pair_Interaction.total.CTCT.dat 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_struct.Angle.total.Angle_CT-CM-CT.dat 3472 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_struct.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_struct.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_struct.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_struct.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_struct_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_struct_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/f_struct_coeff.Pair_Interaction.total.CTCT.dat 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g.Angle.total.Angle_CT-CM-CT.dat 3472 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g.Pair_Interaction.total.CTCT.dat 5797 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g_cnt.Angle.total.Angle_CT-CM-CT.dat 3472 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g_cnt.BondStretch.total.Bond_CT-CM.dat 15841 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g_cnt.Pair_Interaction.total.CMCM.dat 16151 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g_cnt.Pair_Interaction.total.CTCM.dat 16461 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g_cnt.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g_cnt_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g_cnt_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g_cnt_coeff.Pair_Interaction.total.CTCT.dat 1612 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g_coeff.Pair_Interaction.total.CMCM.dat 1643 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g_coeff.Pair_Interaction.total.CTCM.dat 1674 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/g_coeff.Pair_Interaction.total.CTCT.dat 94 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/inp.txt 91564 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/log.txt 3449 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/out.total.txt 1378 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/par.txt 265 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/qsub.sh 24 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/save.FF.dat 18730 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/save.L.dat 9099939 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/save.M.dat 9040200 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/save.M2.dat 7 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/save.Nf.dat 18686 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/save.b_forces.dat 19117 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/save.b_struct.dat 9040200 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/save.d2M.dat 19958 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/save.d2b.dat 18916 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/save.g.dat 18997 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/save.g_cnt.dat 18997 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/save.rescale.dat 4119 06-05-2017 16:42 alkane_XN_calcs/CGFF/heptane/summarize_input.txt 0 06-05-2017 16:30 alkane_XN_calcs/CGMap/ 0 12-04-2017 13:56 alkane_XN_calcs/CGMap/butane/ 736 06-05-2017 16:32 alkane_XN_calcs/CGMap/butane/CGMap.sh 27956 06-05-2017 16:31 alkane_XN_calcs/CGMap/butane/cg_butane.tpr 1737578612 06-05-2017 16:32 alkane_XN_calcs/CGMap/butane/cg_butane.trr 36925 12-04-2017 13:56 alkane_XN_calcs/CGMap/butane/finalframe.gro 36890 06-05-2017 16:31 alkane_XN_calcs/CGMap/butane/input.gro 2225 06-05-2017 16:31 alkane_XN_calcs/CGMap/butane/input.mdp 15143 06-05-2017 16:32 alkane_XN_calcs/CGMap/butane/input.ndx 836 06-05-2017 16:31 alkane_XN_calcs/CGMap/butane/input.top 731 06-05-2017 16:33 alkane_XN_calcs/CGMap/butane/map_butane.top 0 06-05-2017 16:38 alkane_XN_calcs/CGMap/decane/ 733 06-05-2017 16:38 alkane_XN_calcs/CGMap/decane/CGMap.sh 58344 06-05-2017 16:37 alkane_XN_calcs/CGMap/decane/cg_decane.tpr --------- ------- 1962819280 327 files ===================================================== Content of ZIP archive alkane_XN_calcs-08.zip ===================================================== Archive: alkane_XN_calcs-08.zip Length Date Time Name --------- ---------- ----- ---- 3467777060 06-05-2017 16:38 alkane_XN_calcs/CGMap/decane/cg_decane.trr 73735 06-05-2017 16:35 alkane_XN_calcs/CGMap/decane/input.gro 2240 06-05-2017 16:36 alkane_XN_calcs/CGMap/decane/input.mdp 50817 06-05-2017 16:38 alkane_XN_calcs/CGMap/decane/input.ndx 1515 06-05-2017 16:37 alkane_XN_calcs/CGMap/decane/input.top 1399 06-05-2017 16:38 alkane_XN_calcs/CGMap/decane/map_decane.top 0 06-05-2017 16:34 alkane_XN_calcs/CGMap/heptane/ 882 06-05-2017 16:34 alkane_XN_calcs/CGMap/heptane/CGMap.sh 44192 06-05-2017 16:34 alkane_XN_calcs/CGMap/heptane/cg_heptane.tpr 54722560 06-05-2017 16:34 alkane_XN_calcs/CGMap/heptane/cg_heptane.trr 55312 06-05-2017 16:33 alkane_XN_calcs/CGMap/heptane/input.gro 2240 06-05-2017 16:33 alkane_XN_calcs/CGMap/heptane/input.mdp 29452 06-05-2017 16:34 alkane_XN_calcs/CGMap/heptane/input.ndx 1195 06-05-2017 16:33 alkane_XN_calcs/CGMap/heptane/input.top 1065 06-05-2017 16:34 alkane_XN_calcs/CGMap/heptane/map_heptane.top 0 07-10-2017 13:12 alkane_XN_calcs/MCC_slide/ 20048 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/XN_butane_CTCT.xvg 10230 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/XN_butane_pvtrace.dat 24638 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/XN_decane_CTCT.xvg 22425 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/XN_heptane_CTCT.xvg 2401 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/aa_butane.pdb 5317 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/aa_decane.pdb 3859 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/aa_heptane.pdb 82554 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/all_pv_curves.png 25981 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/all_pv_curves.xvg 67238 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/all_rdfs_CTCT.png 146143 07-08-2017 14:37 alkane_XN_calcs/MCC_slide/all_rdfs_CTCT.xvg 70225 07-08-2017 14:38 alkane_XN_calcs/MCC_slide/all_rdfs_CTCT_new.png 223428 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/butane_overlay.png 101315 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/butane_pvcurves.png 15829 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/butane_pvcurves.xvg 51427 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/butane_rdf_CTCT.png 46600 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/butane_rdf_CTCT.xvg 326 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/cg_butane.pdb 27956 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/cg_butane_indiv.tpr 10345 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/cg_butane_out_indiv.mdp 690 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/cg_decane.pdb 58344 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/cg_decane_indiv.tpr 10360 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/cg_decane_out_indiv.mdp 523 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/cg_heptane.pdb 44192 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/cg_heptane_indiv.tpr 10361 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/cg_heptane_out_indiv.mdp 27929 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/decane_overlay.pdb 160588 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/decane_overlay.png 91462 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/decane_pvcurves.png 13769 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/decane_pvcurves.xvg 57834 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/decane_rdf_CTCT.png 54839 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/decane_rdf_CTCT.xvg 2279 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/error_pv_trace.dat 571 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/gen_tpr.sh 190213 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/heptane_overlay.png 103638 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/heptane_pvcurves.png 13915 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/heptane_pvcurves.xvg 55876 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/heptane_rdf_CTCT.png 50999 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/heptane_rdf_CTCT.xvg 20222 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/indiv_butane_CTCT.xvg 24626 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/indiv_decane_CTCT.xvg 22446 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/indiv_heptane_CTCT.xvg 106438 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/pvcurves_withlegend.png 28288 07-10-2017 13:12 alkane_XN_calcs/MCC_slide/pvcurves_withlegend.xvg 99251 07-10-2017 13:12 alkane_XN_calcs/MCC_slide/pvcurves_withlegend_new.png 92135 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/pvcurves_withoutlegend.png 28288 06-06-2017 16:16 alkane_XN_calcs/MCC_slide/pvcurves_withoutlegend.xvg 20048 06-06-2017 16:14 alkane_XN_calcs/MCC_slide/rdf_CTCT.xvg 877 06-06-2017 16:14 alkane_XN_calcs/MCC_slide/rerun.sh 0 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/ 508579 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials.tar.gz 0 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/ 0 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/butane/ 47580 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/butane/butane-mscg-b-ctct.agr 68310 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/butane/butane-mscg-nb-ctct.agr 104454 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/butane/butane-mscg-uvfv.agr 108755 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/butane/butane-xn-uvfv.agr 0 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/decane/ 31169 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/decane/decane-mscg-a-ctcmcm.agr 47416 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/decane/decane-mscg-b-cmcm.agr 47589 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/decane/decane-mscg-b-ctcm.agr 67708 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/decane/decane-mscg-nb-cmcm.agr 67796 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/decane/decane-mscg-nb-ctcm.agr 68034 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/decane/decane-mscg-nb-ctct.agr 65589 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/decane/decane-mscg-uvfv.agr 65569 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/decane/decane-xn-uvfv.agr 0 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/heptane/ 31171 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/heptane/heptane-mscg-a-ctcmct.agr 47519 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/heptane/heptane-mscg-b-ctcm.agr 67905 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/heptane/heptane-mscg-nb-cmcm.agr 68231 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/heptane/heptane-mscg-nb-ctcm.agr 67758 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/heptane/heptane-mscg-nb-ctct.agr 66790 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/heptane/heptane-mscg-uvfv.agr 65597 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/heptane/heptane-xn-uvfv.agr 0 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/xn/ 31158 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/xn/xn-a-ctcmcm.agr 31189 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/xn/xn-a-ctcmct.agr 47455 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/xn/xn-b-cmcm.agr 47203 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/xn/xn-b-ctcm.agr 47596 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/xn/xn-b-ctct.agr 67612 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/xn/xn-nb-cmcm.agr 68081 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/xn/xn-nb-ctcm.agr 68192 10-04-2017 09:52 alkane_XN_calcs/alkane_XN_potentials/alkane-XN-potentials/xn/xn-nb-ctct.agr 0 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/ 0 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/ 0 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/mscg/ 47580 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/mscg/butane-mscg-b-ctct.agr 68310 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/mscg/butane-mscg-nb-ctct.agr 104454 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/mscg/butane-mscg-uvfv.agr 0 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/xn/ 108755 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/xn/butane-xn-uvfv.agr 31158 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/xn/xn-a-ctcmcm.agr 31189 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/xn/xn-a-ctcmct.agr 47455 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/xn/xn-b-cmcm.agr 47203 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/xn/xn-b-ctcm.agr 47596 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/xn/xn-b-ctct.agr 67612 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/xn/xn-nb-cmcm.agr 68081 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/xn/xn-nb-ctcm.agr 68192 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/butane/xn/xn-nb-ctct.agr 0 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/ 0 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/mscg/ 31169 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/mscg/decane-mscg-a-ctcmcm.agr 47416 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/mscg/decane-mscg-b-cmcm.agr 47589 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/mscg/decane-mscg-b-ctcm.agr 67708 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/mscg/decane-mscg-nb-cmcm.agr 67796 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/mscg/decane-mscg-nb-ctcm.agr 68034 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/mscg/decane-mscg-nb-ctct.agr 65589 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/mscg/decane-mscg-uvfv.agr 0 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/xn/ 65569 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/xn/decane-xn-uvfv.agr 31158 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/xn/xn-a-ctcmcm.agr 31189 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/xn/xn-a-ctcmct.agr 47455 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/xn/xn-b-cmcm.agr 47203 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/xn/xn-b-ctcm.agr 47596 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/xn/xn-b-ctct.agr 67612 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/xn/xn-nb-cmcm.agr 68081 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/xn/xn-nb-ctcm.agr 68192 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/decane/xn/xn-nb-ctct.agr 0 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/ 0 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/mscg/ 31171 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/mscg/heptane-mscg-a-ctcmct.agr 47519 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/mscg/heptane-mscg-b-ctcm.agr 67905 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/mscg/heptane-mscg-nb-cmcm.agr 68231 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/mscg/heptane-mscg-nb-ctcm.agr 67758 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/mscg/heptane-mscg-nb-ctct.agr 66790 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/mscg/heptane-mscg-uvfv.agr 0 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/xn/ 65597 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/xn/heptane-xn-uvfv.agr 31158 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/xn/xn-a-ctcmcm.agr 31189 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/xn/xn-a-ctcmct.agr 47455 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/xn/xn-b-cmcm.agr 47203 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/xn/xn-b-ctcm.agr 47596 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/xn/xn-b-ctct.agr 67612 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/xn/xn-nb-cmcm.agr 68081 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/xn/xn-nb-ctcm.agr 68192 10-04-2017 09:49 alkane_XN_calcs/alkane_XN_potentials/old_org_tar/heptane/xn/xn-nb-ctct.agr 3442 06-06-2017 17:17 alkane_XN_calcs/contents.txt 0 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/ 24511 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/#XN_decane_CMCM.xvg.1# 24508 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/#XN_decane_CTCM.xvg.1# 22305 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/#XN_heptane_CTCM.xvg.1# 24525 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/#indiv_decane_CMCM.xvg.1# 24530 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/#indiv_decane_CTCM.xvg.1# 22329 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/#indiv_heptane_CTCM.xvg.1# 24502 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/XN_decane_CMCM.xvg 24513 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/XN_decane_CTCM.xvg 24495 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/XN_decane_CTCT.xvg 22323 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/XN_heptane_CMCM.xvg 22318 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/XN_heptane_CTCM.xvg 22306 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/XN_heptane_CTCT.xvg 20059 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/aa_butane_CTCT.xvg 23702 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/aa_decane_CMCM.xvg 23717 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/aa_decane_CTCM.xvg 23700 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/aa_decane_CTCT.xvg 22395 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/aa_heptane_CMCM.xvg 22386 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/aa_heptane_CTCM.xvg 22373 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/aa_heptane_CTCT.xvg 55456 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_butane_CTCT.png 33558 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_butane_CTCT.xvg 60756 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_decane_CMCM.png 53884 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_decane_CMCM.xvg 61213 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_decane_CTCM.png 54345 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_decane_CTCM.xvg 65119 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_decane_CTCT.png 54821 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_decane_CTCT.xvg 60166 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_heptane_CMCM.png 50568 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_heptane_CMCM.xvg 58655 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_heptane_CTCM.png 50624 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_heptane_CTCM.xvg 63592 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_heptane_CTCT.png 50920 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/comp_heptane_CTCT.xvg 1182 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/gen_all_aa_rdfs.sh 2016 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/gen_all_cg_rdfs.sh 20094 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/indiv_butane_CTCT.xvg 24504 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/indiv_decane_CMCM.xvg 24519 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/indiv_decane_CTCM.xvg 24533 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/indiv_decane_CTCT.xvg 22329 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/indiv_heptane_CMCM.xvg 22339 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/indiv_heptane_CTCM.xvg 22352 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/indiv_heptane_CTCT.xvg 22318 06-05-2017 16:39 alkane_XN_calcs/gen_rdfs/testtrjconv.rdf.xvg 0 06-05-2017 16:40 alkane_XN_calcs/make_tables/ 0 09-27-2017 15:16 alkane_XN_calcs/make_tables/XN/ 1498 06-05-2017 16:40 alkane_XN_calcs/make_tables/XN/run.make_gmx4_tables.sh 291385 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===================================================== Archive: alkane_XN_calcs-12.zip Length Date Time Name --------- ---------- ----- ---- 3467777060 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/cg_rerun.trr 1125461 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/cg_volumes.xvg 74035 06-06-2017 15:32 alkane_XN_calcs/pmatch/gen_input/decane/cgdecane.data 28208 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/lammps_angle_CT-CM-CM.table 48915 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/lammps_bond_CM-CM.table 49283 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/lammps_bond_CT-CM.table 116199 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/lammps_nb_CM-CM.table 116353 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/lammps_nb_CT-CM.table 116502 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/lammps_nb_CT-CT.table 196 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/qsub_rerun.sh 709 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/rerun.sh 1345 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/translate_table.py 8255 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/translate_top.py 7177 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/translate_top_fn.py 9214 06-06-2017 15:37 alkane_XN_calcs/pmatch/gen_input/decane/translate_top_fn.pyc 0 06-06-2017 15:32 alkane_XN_calcs/pmatch/gen_input/heptane/ 1150982 06-05-2017 16:51 alkane_XN_calcs/pmatch/gen_input/heptane/aa_pressures.xvg 1125487 06-05-2017 16:51 alkane_XN_calcs/pmatch/gen_input/heptane/aa_volumes.xvg 44192 06-05-2017 16:51 alkane_XN_calcs/pmatch/gen_input/heptane/cg_heptane.tpr 10355 06-05-2017 16:51 alkane_XN_calcs/pmatch/gen_input/heptane/cg_heptane_out.mdp 1125487 06-05-2017 16:51 alkane_XN_calcs/pmatch/gen_input/heptane/cg_pressures.xvg 20701604 06-05-2017 16:52 alkane_XN_calcs/pmatch/gen_input/heptane/cg_rerun.edr --------- ------- 3493637019 22 files ===================================================== Content of ZIP archive alkane_XN_calcs-13.zip ===================================================== Archive: alkane_XN_calcs-13.zip Length Date Time Name --------- ---------- ----- ---- 2602677836 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/cg_rerun.trr 1125461 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/cg_volumes.xvg 50906 06-05-2017 16:51 alkane_XN_calcs/pmatch/gen_input/heptane/cgheptane.data 28315 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/lammps_angle_CT-CM-CT.table 49280 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/lammps_bond_CT-CM.table 116284 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/lammps_nb_CM-CM.table 116525 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/lammps_nb_CT-CM.table 116421 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/lammps_nb_CT-CT.table 197 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/qsub_rerun.sh 710 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/rerun.sh 291790 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/table.xvg 1345 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/translate_table.py 8255 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/translate_top.py 7177 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/translate_top_fn.py 9231 06-05-2017 17:45 alkane_XN_calcs/pmatch/gen_input/heptane/translate_top_fn.pyc 0 06-06-2017 15:45 alkane_XN_calcs/pmatch/iter0/ 0 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/XN/ 0 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/ 0 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/BUT_pmatch_XN.o2087940 53 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/Q.dat 1152503 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/aa_pressures.xvg 912151 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/aa_pv.dat 899 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/aa_pv_curve.dat 399 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/aa_vol_dist.xvg 1125482 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/aa_volumes.xvg 318930 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/angle_E.dat 1286 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/block_error_aa_pv_curve.dat 915578 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/bond_E.dat 1125512 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/cg_pressures.xvg 399 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/cg_vol_dist.xvg 1125493 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/cg_volumes.xvg 29271 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/cgbutane.data 3305 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/cgbutane.lmp 616 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/config.ini 318930 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/coul_E.dat 945638 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/enthalpy.dat 1334 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/error_aa_pv_curve.dat 588 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/error_aa_vol_dist.xvg 588 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/error_cg_vol_dist.xvg 18 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/g_cnt.dat 915584 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/kinetic_E.dat 50578 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/lammps_bond_CT-CT.table 116640 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/lammps_nb_CT-CT.table 2254363 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/log.lammps 79 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/log.txt 2251947 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/out.dat 945555 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/potential_E.dat 930807 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/press.dat 4279333 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/press_tens.dat 74 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/psi.dat 302 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/qsub.sh 584 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/sample_aa_pv_curve.dat 77740 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/state1.restart 77740 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/state2.restart 915569 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/temp.dat 945650 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/vdw_E.dat 915666 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/vol.dat 83201 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/vol_dist_comp.png 10906 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/butane/vol_dist_comp.xvg 0 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/XN/decane/ 0 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/ 0 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/DEC_pmatch_XN.o2087954 0 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/DEC_pmatch_XN.o2093625 0 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/HEP_pmatch_XN.o2087941 51 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/Q.dat 1149340 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/aa_pressures.xvg 1136554 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/aa_pressures_ed.xvg 901834 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/aa_pv.dat 542 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/aa_pv_curve.dat 399 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/aa_vol_dist.xvg 1125497 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/aa_volumes.xvg 1112997 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/aa_volumes_ed.xvg 915578 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/angle_E.dat 776 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/block_error_aa_pv_curve.dat 752 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/block_error_cg_iter0_pv_curve.dat 915676 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/bond_E.dat 608485 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/cg_iter0_pv.dat 527 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/cg_iter0_pv_curve.dat 1170487 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/cg_pressures.xvg 1157495 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/cg_pressures_ed.xvg 399 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/cg_vol_dist.xvg 1125500 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/cg_volumes.xvg 1113000 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/cg_volumes_ed.xvg 72967 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/cgdecane.data 3413 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/cgdecane.lmp 50906 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/cgheptane.data 3417 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/cgheptane.lmp 629 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/config.ini 318930 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/coul_E.dat 915674 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/enthalpy.dat 799 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/error_aa_pv_curve.dat 588 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/error_aa_vol_dist.xvg 763 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/error_cg_iter0_pv_curve.dat 588 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/error_cg_vol_dist.xvg 18 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/g_cnt.dat 915570 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/kinetic_E.dat 28205 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/lammps_angle_CT-CM-CM.table 28316 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/lammps_angle_CT-CM-CT.table 48903 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/lammps_bond_CM-CM.table 49288 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/lammps_bond_CT-CM.table 116143 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/lammps_nb_CM-CM.table 116376 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/lammps_nb_CT-CM.table 116640 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/lammps_nb_CT-CT.table 2254511 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/log.lammps 79 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/log.txt 2251987 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/out.dat 915602 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/potential_E.dat 930669 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/press.dat 4245021 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/press_tens.dat 75 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/psi.dat 302 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/qsub.sh 365 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/sample_aa_pv_curve.dat 344 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/sample_cg_iter0_pv_curve.dat 176026 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/state1.restart 176026 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/state2.restart 915507 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/temp.dat 945714 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/vdw_E.dat 915593 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/vol.dat 83253 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/vol_dist_comp.png 10878 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter0/XN/heptane/vol_dist_comp.xvg 0 06-06-2017 15:45 alkane_XN_calcs/pmatch/iter0/individual/ 0 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/ 0 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/BUT_pmatch_indiv.o2087822 0 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/BUT_pmatch_indiv.o2087873 0 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/BUT_pmatch_indiv.o2087906 109806 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/PV_scatters_AAvsMapped.png 3223172 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/PV_scatters_AAvsMapped.xvg 53 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/Q.dat 1152503 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/aa_pressures.xvg 912151 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/aa_pv.dat 899 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/aa_pv_curve.dat 399 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/aa_vol_dist.xvg 1125482 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/aa_volumes.xvg 318930 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/angle_E.dat 1286 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/block_error_aa_pv_curve.dat 784 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/block_error_cg_iter0_pv_curve.dat 1288 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/block_error_mapped_pv_curve.dat 915696 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/bond_E.dat 608404 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/cg_iter0_pv.dat 550 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/cg_iter0_pv_curve.dat 1125464 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/cg_pressures.xvg 399 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/cg_vol_dist.xvg 1125484 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/cg_volumes.xvg 29272 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/cgbutane.data 3305 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/cgbutane.lmp 616 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/config.ini 318930 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/coul_E.dat 943908 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/enthalpy.dat 1334 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/error_aa_pv_curve.dat 588 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/error_aa_vol_dist.xvg 797 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/error_cg_iter0_pv_curve.dat 588 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/error_cg_vol_dist.xvg 1299 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/error_mapped_pv_curve.dat 18 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/g_cnt.dat 915646 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/kinetic_E.dat 50580 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/lammps_bond_CT-CT.table 116643 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/lammps_nb_CT-CT.table 2254362 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/log.lammps 79 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/log.txt 890200 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/mapped_pv.dat 901 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/mapped_pv_curve.dat 2251946 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/out.dat 945564 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/potential_E.dat 930712 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/press.dat 4250216 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/press_tens.dat 74 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/psi.dat 305 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/qsub.sh 584 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/sample_aa_pv_curve.dat 361 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/sample_cg_iter0_pv_curve.dat 584 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/sample_mapped_pv_curve.dat 77740 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/state1.restart 77740 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/state2.restart 915567 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/temp.dat 945532 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/vdw_E.dat 915607 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/vol.dat 82374 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/vol_dist_comp.png 10909 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/butane/vol_dist_comp.xvg 0 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/ 0 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/DEC_pmatch_indiv.o2087866 0 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/DEC_pmatch_indiv.o2087869 0 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/DEC_pmatch_indiv.o2087919 0 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/DEC_pmatch_indiv.o2093622 51 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/Q.dat 1136554 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/aa_pressures_ed.xvg 901834 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/aa_pv.dat 542 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/aa_pv_curve.dat 399 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/aa_vol_dist.xvg 1125497 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/aa_volumes.xvg 1112997 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/aa_volumes_ed.xvg 915548 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/angle_E.dat 776 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/block_error_aa_pv_curve.dat 751 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/block_error_cg_iter0_pv_curve.dat 992 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/block_error_mapped_pv_curve.dat 915539 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/bond_E.dat 608263 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/cg_iter0_pv.dat 526 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/cg_iter0_pv_curve.dat 1170502 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/cg_pressures.xvg 1157510 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/cg_pressures_ed.xvg 399 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/cg_vol_dist.xvg 1125461 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/cg_volumes.xvg 1112961 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/cg_volumes_ed.xvg 72967 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/cgdecane.data 3416 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/cgdecane.lmp 629 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/config.ini 318930 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/coul_E.dat 915583 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/enthalpy.dat 799 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/error_aa_pv_curve.dat 588 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/error_aa_vol_dist.xvg 765 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/error_cg_iter0_pv_curve.dat 588 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/error_cg_vol_dist.xvg 998 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/error_mapped_pv_curve.dat 18 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/g_cnt.dat 915565 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/kinetic_E.dat 28208 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/lammps_angle_CT-CM-CM.table 48915 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/lammps_bond_CM-CM.table 49283 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/lammps_bond_CT-CM.table 116199 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/lammps_nb_CM-CM.table 116353 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/lammps_nb_CT-CM.table 116502 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/lammps_nb_CT-CT.table 2254515 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/log.lammps 79 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/log.txt 889691 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/mapped_pv.dat 704 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/mapped_pv_curve.dat 2251988 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/out.dat 915675 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/potential_E.dat 930539 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/press.dat 4243822 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/press_tens.dat 77 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/psi.dat 305 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/qsub.sh 365 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/sample_aa_pv_curve.dat 346 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/sample_cg_iter0_pv_curve.dat 437 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/sample_mapped_pv_curve.dat 176026 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/state1.restart 176026 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/state2.restart 915534 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/temp.dat 945601 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/vdw_E.dat 915578 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/vol.dat 83904 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/vol_dist_comp.png 10887 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/decane/vol_dist_comp.xvg 0 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/ 0 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/HEP_pmatch_indiv.o2087819 53 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/Q.dat 1150982 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/aa_pressures.xvg 911992 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/aa_pv.dat 567 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/aa_pv_curve.dat 399 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/aa_vol_dist.xvg 1125487 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/aa_volumes.xvg 915562 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/angle_E.dat 810 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/block_error_aa_pv_curve.dat 753 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/block_error_cg_iter0_pv_curve.dat 810 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/block_error_mapped_pv_curve.dat 915566 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/bond_E.dat 608527 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/cg_iter0_pv.dat 528 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/cg_iter0_pv_curve.dat 1125487 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/cg_pressures.xvg 399 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/cg_vol_dist.xvg 1125461 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/cg_volumes.xvg 50906 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/cgheptane.data 3416 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/cgheptane.lmp 616 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/config.ini 318930 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/coul_E.dat 944069 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/enthalpy.dat 838 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/error_aa_pv_curve.dat 588 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/error_aa_vol_dist.xvg 763 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/error_cg_iter0_pv_curve.dat 588 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/error_cg_vol_dist.xvg 814 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/error_mapped_pv_curve.dat 18 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/g_cnt.dat 915522 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/kinetic_E.dat 28315 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/lammps_angle_CT-CM-CT.table 49280 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/lammps_bond_CT-CM.table 116284 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/lammps_nb_CM-CM.table 116525 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/lammps_nb_CT-CM.table 116421 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/lammps_nb_CT-CT.table 2254505 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/log.lammps 79 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/log.txt 889986 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/mapped_pv.dat 567 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/mapped_pv_curve.dat 2251978 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/out.dat 945486 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/potential_E.dat 930815 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/press.dat 4246918 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/press_tens.dat 74 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/psi.dat 306 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/qsub.sh 378 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/sample_aa_pv_curve.dat 343 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/sample_cg_iter0_pv_curve.dat 378 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/sample_mapped_pv_curve.dat 126898 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/state1.restart 126898 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/state2.restart 915702 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/temp.dat 945566 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/vdw_E.dat 915560 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/vol.dat 85974 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/vol_dist_comp.png 10910 06-06-2017 15:46 alkane_XN_calcs/pmatch/iter0/individual/heptane/vol_dist_comp.xvg 0 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter1/ 0 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter1/XN/ 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/ 18 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/AA_g_cnt.dat 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/BUT_pmatch_XN.o2093514 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/BUT_pmatch_XN.o2093626 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/BUT_pmatch_XN.o2093761 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/CG_Q.dat 18 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/CG_g_cnt.dat 42 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/Q.dat 1152503 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/aa_pressures.xvg 399 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/aa_vol_dist.xvg 1125482 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/aa_volumes.xvg 18302892 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/angle_E.dat 56914898 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/bond_E.dat 930807 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/cg_pressures.dat 915666 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/cg_volumes.dat 29271 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/cgbutane.data 3266 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/cgbutane.lmp 631 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/config.ini 18302892 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/coul_E.dat 58854824 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/enthalpy.dat 18 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/g_cnt.dat 56914458 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/kinetic_E.dat 50578 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/lammps_bond_CT-CT.table 116640 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/lammps_nb_CT-CT.table 131072 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/log.lammps 158 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/log.txt 146895 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/out.dat 58856137 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/potential_E.dat 57890922 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/press.dat 275941305 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/press_tens.dat 62776 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/pressure.png 34602354 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/pressure.xvg 75 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/psi.dat 302 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/qsub.sh 77740 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/state1.restart 77740 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/state2.restart 56915732 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/temp.dat 58855328 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/vdw_E.dat 56915042 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/vol.dat 13174 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/vol_test.dat 57453 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/XN/butane/volume.png 33626385 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/butane/volume.xvg 0 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/ 18 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/AA_g_cnt.dat 0 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/CG_Q.dat 18 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/CG_g_cnt.dat 0 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/DEC_pmatch_XN.o2099855 42 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/Q.dat 1136554 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/aa_pressures.xvg 399 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/aa_vol_dist.xvg 1112997 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/aa_volumes.xvg 915540 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/angle_E.dat 915445 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/bond_E.dat 930669 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/cg_pressures.dat 399 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/cg_vol_dist.xvg 915593 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/cg_volumes.dat 72967 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/cgdecane.data 3415 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/cgdecane.lmp 632 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/config.ini 318930 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/coul_E.dat 915663 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/enthalpy.dat 588 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/error_cg_vol_dist.xvg 18 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/g_cnt.dat 95993 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/iterative_improvement.png 12561 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/iterative_improvement.xvg 915558 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/kinetic_E.dat 28205 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/lammps_angle_CT-CM-CM.table 48903 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/lammps_bond_CM-CM.table 49288 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/lammps_bond_CT-CM.table 116143 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/lammps_nb_CM-CM.table 116376 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/lammps_nb_CT-CM.table 116640 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/lammps_nb_CT-CT.table 2254515 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/log.lammps 158 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/log.txt 2251989 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/out.dat 915579 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/potential_E.dat 930553 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/press.dat 4244623 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/press_tens.dat 77 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/psi.dat 302 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/qsub.sh 176026 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/state1.restart 176026 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/state2.restart 915666 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/temp.dat 945520 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/vdw_E.dat 915580 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/vol.dat 86768 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/vol_dist_comp.png 10891 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/decane/vol_dist_comp.xvg 0 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/ 18 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/AA_g_cnt.dat 0 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/CG_Q.dat 18 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/CG_g_cnt.dat 0 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/HEP_pmatch_XN.o2093614 42 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/Q.dat 1150982 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/aa_pressures.xvg 399 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/aa_vol_dist.xvg 1125487 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/aa_volumes.xvg 915550 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/angle_E.dat 915588 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/bond_E.dat 930756 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/cg_pressures.dat 399 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/cg_vol_dist.xvg 915639 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/cg_volumes.dat 50906 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/cgheptane.data 3417 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/cgheptane.lmp 632 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/config.ini 318930 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/coul_E.dat 918765 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/enthalpy.dat 588 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/error_cg_vol_dist.xvg 18 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/g_cnt.dat 96750 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/iterative_improvement.png 12568 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/iterative_improvement.xvg 915548 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/kinetic_E.dat 28316 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/lammps_angle_CT-CM-CT.table 49288 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/lammps_bond_CT-CM.table 116143 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/lammps_nb_CM-CM.table 116376 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/lammps_nb_CT-CM.table 116640 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/lammps_nb_CT-CT.table 2254506 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/log.lammps 158 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/log.txt 2251978 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/out.dat 945612 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/potential_E.dat 930638 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/press.dat 4244714 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/press_tens.dat 76 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/psi.dat 303 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/qsub.sh 126898 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/state1.restart 126898 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/state2.restart 915481 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/temp.dat 945625 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/vdw_E.dat 915625 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/vol.dat 89868 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/vol_dist_comp.png 10902 06-06-2017 15:49 alkane_XN_calcs/pmatch/iter1/XN/heptane/vol_dist_comp.xvg 0 06-06-2017 15:47 alkane_XN_calcs/pmatch/iter1/individual/ 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/ 18 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/AA_g_cnt.dat 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/BUT_pmatch_indiv.o2093499 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/CG_Q.dat 18 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/CG_g_cnt.dat 42 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/Q.dat 1152503 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/aa_pressures.xvg 399 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/aa_vol_dist.xvg 1125482 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/aa_volumes.xvg 318930 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/angle_E.dat 915665 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/bond_E.dat 930712 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/cg_pressures.dat 399 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/cg_vol_dist.xvg 915607 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/cg_volumes.dat 29272 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/cgbutane.data 3306 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/cgbutane.lmp 639 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/config.ini 318930 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/coul_E.dat 943565 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/enthalpy.dat 588 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/error_cg_vol_dist.xvg 18 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/g_cnt.dat 90952 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/iterative_improvement.png 12581 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/iterative_improvement.xvg 915623 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/kinetic_E.dat 50580 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/lammps_bond_CT-CT.table 116643 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/lammps_nb_CT-CT.table 2254364 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/log.lammps 158 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/log.txt 2251947 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/out.dat 945713 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/potential_E.dat 930791 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/press.dat 4255821 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/press_tens.dat 75 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/psi.dat 305 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/qsub.sh 77740 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/state1.restart 77740 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/state2.restart 915523 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/temp.dat 945618 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/vdw_E.dat 915672 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/vol.dat 81105 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/vol_dist_comp.png 10908 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/butane/vol_dist_comp.xvg 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/ 18 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/AA_g_cnt.dat 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/CG_Q.dat 18 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/CG_g_cnt.dat 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/DEC_pmatch_indiv.o2099836 42 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/Q.dat 1136554 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/aa_pressures.xvg 399 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/aa_vol_dist.xvg 1112997 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/aa_volumes.xvg 915565 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/angle_E.dat 915626 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/bond_E.dat 930539 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/cg_pressures.dat 399 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/cg_vol_dist.xvg 915578 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/cg_volumes.dat 72967 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/cgdecane.data 3416 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/cgdecane.lmp 640 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/config.ini 318930 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/coul_E.dat 915527 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/enthalpy.dat 588 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/error_cg_vol_dist.xvg 18 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/g_cnt.dat 93776 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/iterative_improvement.png 12559 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/iterative_improvement.xvg 915584 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/kinetic_E.dat 28208 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/lammps_angle_CT-CM-CM.table 48915 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/lammps_bond_CM-CM.table 49283 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/lammps_bond_CT-CM.table 116199 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/lammps_nb_CM-CM.table 116353 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/lammps_nb_CT-CM.table 116502 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/lammps_nb_CT-CT.table 2254516 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/log.lammps 158 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/log.txt 2251989 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/out.dat 915566 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/potential_E.dat 930615 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/press.dat 4244299 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/press_tens.dat 78 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/psi.dat 305 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/qsub.sh 176026 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/state1.restart 176026 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/state2.restart 915569 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/temp.dat 945557 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/vdw_E.dat 915539 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/vol.dat 86843 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/vol_dist_comp.png 10901 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/decane/vol_dist_comp.xvg 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/ 18 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/AA_g_cnt.dat 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/CG_Q.dat 18 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/CG_g_cnt.dat 0 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/HEP_pmatch_indiv.o2093530 42 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/Q.dat 1150982 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/aa_pressures.xvg 399 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/aa_vol_dist.xvg 1125487 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/aa_volumes.xvg 915501 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/angle_E.dat 915599 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/bond_E.dat 930815 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/cg_pressures.dat 399 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/cg_vol_dist.xvg 915560 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/cg_volumes.dat 50906 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/cgheptane.data 3417 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/cgheptane.lmp 640 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/config.ini 318930 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/coul_E.dat 944143 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/enthalpy.dat 588 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/error_cg_vol_dist.xvg 18 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/g_cnt.dat 97891 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/iterative_improvement.png 12584 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/iterative_improvement.xvg 915608 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/kinetic_E.dat 28315 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/lammps_angle_CT-CM-CT.table 49280 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/lammps_bond_CT-CM.table 116284 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/lammps_nb_CM-CM.table 116525 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/lammps_nb_CT-CM.table 116421 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/lammps_nb_CT-CT.table 2254505 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/log.lammps 158 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/log.txt 2251977 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/out.dat 945635 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/potential_E.dat 930674 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/press.dat 4245059 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/press_tens.dat 75 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/psi.dat 306 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/qsub.sh 126898 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/state1.restart 126898 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/state2.restart 915608 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/temp.dat 945524 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/vdw_E.dat 915649 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/vol.dat 89650 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/vol_dist_comp.png 10913 06-06-2017 15:48 alkane_XN_calcs/pmatch/iter1/individual/heptane/vol_dist_comp.xvg 0 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter10/ 0 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter10/individual/ 0 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/ 0 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/BUT_pmatch_indiv.o2154498 399 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/aa_vol_dist.xvg 318930 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/angle_E.dat 1041 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/block_error_cg_converged_pv_curve.dat 915618 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/bond_E.dat 608454 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/cg_converged_pv.dat 726 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/cg_converged_pv_curve.dat 399 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/cg_vol_dist.xvg 29272 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/cgbutane.data 3306 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/cgbutane.lmp 318930 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/coul_E.dat 943431 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/enthalpy.dat 1058 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/error_cg_converged_pv_curve.dat 588 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/error_cg_vol_dist.xvg 915762 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/kinetic_E.dat 50580 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/lammps_bond_CT-CT.table 116643 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/lammps_nb_CT-CT.table 2254364 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/log.lammps 2251947 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/out.dat 71502796 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/outfile.xtc 945696 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/potential_E.dat 930629 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/press.dat 4255560 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/press_tens.dat 285 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/qsub.sh 483 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/sample_cg_converged_pv_curve.dat 77740 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/state1.restart 77740 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/state2.restart 915567 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/temp.dat 945600 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/vdw_E.dat 915585 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/vol.dat 77833 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/vol_dist_comp.png 10911 06-06-2017 16:02 alkane_XN_calcs/pmatch/iter10/individual/butane/vol_dist_comp.xvg 0 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/ 0 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/ 0 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/ 18 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/AA_g_cnt.dat 0 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/CG_Q.dat 18 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/CG_g_cnt.dat 0 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/DEC_pmatch_XN.o2103491 42 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/Q.dat 1136554 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/aa_pressures.xvg 399 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/aa_vol_dist.xvg 1112997 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/aa_volumes.xvg 915608 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/angle_E.dat 915521 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/bond_E.dat 930553 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/cg_pressures.dat 399 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/cg_vol_dist.xvg 915580 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/cg_volumes.dat 72967 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/cgdecane.data 3416 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/cgdecane.lmp 632 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/config.ini 318930 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/coul_E.dat 915565 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/enthalpy.dat 588 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/error_cg_vol_dist.xvg 18 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/g_cnt.dat 99857 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/iterative_improvement.png 14260 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/iterative_improvement.xvg 915516 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/kinetic_E.dat 28205 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/lammps_angle_CT-CM-CM.table 48903 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/lammps_bond_CM-CM.table 49288 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/lammps_bond_CT-CM.table 116143 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/lammps_nb_CM-CM.table 116376 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/lammps_nb_CT-CM.table 116640 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/lammps_nb_CT-CT.table 2254515 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/log.lammps 158 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/log.txt 2251988 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/out.dat 915551 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/potential_E.dat 930978 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/press.dat 4244133 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/press_tens.dat 78 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/psi.dat 302 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/qsub.sh 176026 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/state1.restart 176026 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/state2.restart 915454 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/temp.dat 945610 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/vdw_E.dat 915524 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/vol.dat 79648 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/vol_dist_comp.png 10899 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/decane/vol_dist_comp.xvg 0 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/ 18 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/AA_g_cnt.dat 0 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/CG_Q.dat 18 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/CG_g_cnt.dat 0 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/HEP_pmatch_XN.o2099904 42 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/Q.dat 1150982 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/aa_pressures.xvg 399 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/aa_vol_dist.xvg 1125487 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/aa_volumes.xvg 915638 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/angle_E.dat 915539 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/bond_E.dat 930638 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/cg_pressures.dat 399 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/cg_vol_dist.xvg 915625 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/cg_volumes.dat 50906 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/cgheptane.data 3418 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/cgheptane.lmp 632 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/config.ini 318930 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/coul_E.dat 918577 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/enthalpy.dat 588 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/error_cg_vol_dist.xvg 18 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/g_cnt.dat 99433 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/iterative_improvement.png 14260 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/iterative_improvement.xvg 915616 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/kinetic_E.dat 28316 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/lammps_angle_CT-CM-CT.table 49288 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/lammps_bond_CT-CM.table 116143 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/lammps_nb_CM-CM.table 116376 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/lammps_nb_CT-CM.table 116640 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/lammps_nb_CT-CT.table 2254508 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/log.lammps 158 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/log.txt 2251979 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/out.dat 945605 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/potential_E.dat 930719 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/press.dat 4244115 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/press_tens.dat 77 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/psi.dat 303 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/qsub.sh 126898 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/state1.restart 126898 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/state2.restart 915641 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/temp.dat 945742 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/vdw_E.dat 915550 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/vol.dat 77709 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/vol_dist_comp.png 10907 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter2/XN/heptane/vol_dist_comp.xvg 0 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/ 0 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/ 18 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/AA_g_cnt.dat 0 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/BUT_pmatch_indiv.o2099888 0 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/CG_Q.dat 18 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/CG_g_cnt.dat 42 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/Q.dat 1152503 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/aa_pressures.xvg 399 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/aa_vol_dist.xvg 1125482 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/aa_volumes.xvg 318930 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/angle_E.dat 915687 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/bond_E.dat 930791 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/cg_pressures.dat 399 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/cg_vol_dist.xvg 915672 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/cg_volumes.dat 29272 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/cgbutane.data 3306 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/cgbutane.lmp 639 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/config.ini 318930 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/coul_E.dat 943371 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/enthalpy.dat 588 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/error_cg_vol_dist.xvg 18 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/g_cnt.dat 96547 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/iterative_improvement.png 14276 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/iterative_improvement.xvg 915590 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/kinetic_E.dat 50580 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/lammps_bond_CT-CT.table 116643 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/lammps_nb_CT-CT.table 2254362 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/log.lammps 158 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/log.txt 2251945 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/out.dat 945669 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/potential_E.dat 930576 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/press.dat 4255615 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/press_tens.dat 75 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/psi.dat 305 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/qsub.sh 77740 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/state1.restart 77740 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/state2.restart 915646 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/temp.dat 945582 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/vdw_E.dat 915710 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/vol.dat 76748 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/vol_dist_comp.png 10911 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/butane/vol_dist_comp.xvg 0 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/ 18 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/AA_g_cnt.dat 0 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/CG_Q.dat 18 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/CG_g_cnt.dat 0 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/DEC_pmatch_indiv.o2103428 42 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/Q.dat 1136554 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/aa_pressures.xvg 399 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/aa_vol_dist.xvg 1112997 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/aa_volumes.xvg 915536 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/angle_E.dat 915696 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/bond_E.dat 930615 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/cg_pressures.dat 399 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/cg_vol_dist.xvg 915539 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/cg_volumes.dat 72967 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/cgdecane.data 3416 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/cgdecane.lmp 640 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/config.ini 318930 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/coul_E.dat 915612 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/enthalpy.dat 588 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/error_cg_vol_dist.xvg 18 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/g_cnt.dat 100484 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/iterative_improvement.png 14253 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/iterative_improvement.xvg 915716 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/kinetic_E.dat 28208 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/lammps_angle_CT-CM-CM.table 48915 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/lammps_bond_CM-CM.table 49283 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/lammps_bond_CT-CM.table 116199 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/lammps_nb_CM-CM.table 116353 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/lammps_nb_CT-CM.table 116502 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/lammps_nb_CT-CT.table 2254514 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/log.lammps 158 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/log.txt 2251987 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/out.dat 915531 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/potential_E.dat 930597 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/press.dat 4244517 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/press_tens.dat 78 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/psi.dat 305 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/qsub.sh 176026 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/state1.restart 176026 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/state2.restart 915601 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/temp.dat 945625 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/vdw_E.dat 915616 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/vol.dat 86061 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/vol_dist_comp.png 10902 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/decane/vol_dist_comp.xvg 0 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/ 18 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/AA_g_cnt.dat 0 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/CG_Q.dat 18 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/CG_g_cnt.dat 0 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/HEP_pmatch_indiv.o2099897 42 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/Q.dat 1150982 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/aa_pressures.xvg 399 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/aa_vol_dist.xvg 1125487 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/aa_volumes.xvg 915545 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/angle_E.dat 915649 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/bond_E.dat 930674 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/cg_pressures.dat 399 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/cg_vol_dist.xvg 915649 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/cg_volumes.dat 50906 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/cgheptane.data 3417 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/cgheptane.lmp 640 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/config.ini 318930 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/coul_E.dat 944172 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/enthalpy.dat 588 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/error_cg_vol_dist.xvg 18 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/g_cnt.dat 101198 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/iterative_improvement.png 14280 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/iterative_improvement.xvg 915652 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/kinetic_E.dat 28315 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/lammps_angle_CT-CM-CT.table 49280 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/lammps_bond_CT-CM.table 116284 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/lammps_nb_CM-CM.table 116525 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/lammps_nb_CT-CM.table 116421 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/lammps_nb_CT-CT.table 2254508 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/log.lammps 158 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/log.txt 2251980 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/out.dat 945448 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/potential_E.dat 930830 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/press.dat 4245063 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/press_tens.dat 75 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/psi.dat 306 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/qsub.sh 126898 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/state1.restart 126898 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/state2.restart 915657 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/temp.dat 945661 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/vdw_E.dat 915557 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/vol.dat 83674 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/vol_dist_comp.png 10914 06-06-2017 15:50 alkane_XN_calcs/pmatch/iter2/individual/heptane/vol_dist_comp.xvg 0 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter3/ 0 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/XN/ 0 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/ 18 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/AA_g_cnt.dat 0 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/CG_Q.dat 18 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/CG_g_cnt.dat 0 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/DEC_pmatch_XN.o2112628 42 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/Q.dat 1136554 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/aa_pressures.xvg 399 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/aa_vol_dist.xvg 1112997 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/aa_volumes.xvg 915552 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/angle_E.dat 915639 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/bond_E.dat 930978 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/cg_pressures.dat 399 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/cg_vol_dist.xvg 915524 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/cg_volumes.dat 72967 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/cgdecane.data 3416 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/cgdecane.lmp 632 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/config.ini 318930 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/coul_E.dat 915591 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/enthalpy.dat 588 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/error_cg_vol_dist.xvg 18 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/g_cnt.dat 97953 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/iterative_improvement.png 15956 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/iterative_improvement.xvg 915693 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/kinetic_E.dat 28205 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/lammps_angle_CT-CM-CM.table 48903 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/lammps_bond_CM-CM.table 49288 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/lammps_bond_CT-CM.table 116143 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/lammps_nb_CM-CM.table 116376 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/lammps_nb_CT-CM.table 116640 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/lammps_nb_CT-CT.table 2254512 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/log.lammps 158 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/log.txt 2251985 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/out.dat 915649 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/potential_E.dat 930459 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/press.dat 4244274 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/press_tens.dat 78 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/psi.dat 302 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/qsub.sh 176026 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/state1.restart 176026 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/state2.restart 915513 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/temp.dat 945738 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/vdw_E.dat 915653 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/vol.dat 76151 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/vol_dist_comp.png 10895 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/decane/vol_dist_comp.xvg 0 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/ 50906 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/XN/heptane/cgheptane.data 3418 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/XN/heptane/cgheptane.lmp 28316 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/XN/heptane/lammps_angle_CT-CM-CT.table 49288 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/XN/heptane/lammps_bond_CT-CM.table 116143 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/XN/heptane/lammps_nb_CM-CM.table 116376 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/XN/heptane/lammps_nb_CT-CM.table 116640 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/XN/heptane/lammps_nb_CT-CT.table 0 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/ 18 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/AA_g_cnt.dat 0 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/CG_Q.dat 18 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/CG_g_cnt.dat 0 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/HEP_pmatch_XN.o2103714 42 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/Q.dat 1150982 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/aa_pressures.xvg 399 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/aa_vol_dist.xvg 1125487 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/aa_volumes.xvg 915428 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/angle_E.dat 843 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/block_error_cg_converged_pv_curve.dat 915639 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/bond_E.dat 608400 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/cg_converged_pv.dat 591 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/cg_converged_pv_curve.dat 930719 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/cg_pressures.dat 399 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/cg_vol_dist.xvg 915550 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/cg_volumes.dat 50906 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/cgheptane.data 3418 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/cgheptane.lmp 632 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/config.ini 318930 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/coul_E.dat 918567 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/enthalpy.dat 856 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/error_cg_converged_pv_curve.dat 588 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/error_cg_vol_dist.xvg 18 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/g_cnt.dat 98138 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/iterative_improvement.png 15952 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/iterative_improvement.xvg 915612 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/kinetic_E.dat 28316 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/lammps_angle_CT-CM-CT.table 49288 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/lammps_bond_CT-CM.table 116143 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/lammps_nb_CM-CM.table 116376 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/lammps_nb_CT-CM.table 116640 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/lammps_nb_CT-CT.table 2254504 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/log.lammps 158 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/log.txt 2251975 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/out.dat 945645 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/potential_E.dat 930653 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/press.dat 4244646 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/press_tens.dat 77 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/psi.dat 303 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/qsub.sh 386 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/sample_cg_converged_pv_curve.dat 126898 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/state1.restart 126898 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/state2.restart 915665 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/temp.dat 945565 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/vdw_E.dat 915640 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/vol.dat 74292 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/vol_dist_comp.png 10907 06-06-2017 15:53 alkane_XN_calcs/pmatch/iter3/XN/heptane/original/vol_dist_comp.xvg 0 06-06-2017 15:51 alkane_XN_calcs/pmatch/iter3/individual/ 0 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/ 18 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/AA_g_cnt.dat 0 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/BUT_pmatch_indiv.o2103712 0 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/CG_Q.dat 18 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/CG_g_cnt.dat 42 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/Q.dat 1152503 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/aa_pressures.xvg 399 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/aa_vol_dist.xvg 1125482 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/aa_volumes.xvg 318930 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/angle_E.dat 915546 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/bond_E.dat 930576 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/cg_pressures.dat 399 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/cg_vol_dist.xvg 915710 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/cg_volumes.dat 29272 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/cgbutane.data 3306 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/cgbutane.lmp 639 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/config.ini 318930 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/coul_E.dat 943615 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/enthalpy.dat 588 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/error_cg_vol_dist.xvg 18 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/g_cnt.dat 98379 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/iterative_improvement.png 15970 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/iterative_improvement.xvg 915604 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/kinetic_E.dat 50580 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/lammps_bond_CT-CT.table 116643 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/lammps_nb_CT-CT.table 2254361 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/log.lammps 158 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/log.txt 2251944 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/out.dat 945568 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/potential_E.dat 930667 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/press.dat 4255420 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/press_tens.dat 75 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/psi.dat 305 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/qsub.sh 77740 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/state1.restart 77740 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/state2.restart 915523 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/temp.dat 945527 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/vdw_E.dat 915626 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/vol.dat 76366 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/vol_dist_comp.png 10910 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/butane/vol_dist_comp.xvg 0 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/ 18 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/AA_g_cnt.dat 0 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/CG_Q.dat 18 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/CG_g_cnt.dat 0 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/DEC_pmatch_indiv.o2112624 42 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/Q.dat 1136554 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/aa_pressures.xvg 399 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/aa_vol_dist.xvg 1112997 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/aa_volumes.xvg 915545 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/angle_E.dat 915616 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/bond_E.dat 930597 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/cg_pressures.dat 399 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/cg_vol_dist.xvg 915616 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/cg_volumes.dat 72967 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/cgdecane.data 3417 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/cgdecane.lmp 640 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/config.ini 318930 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/coul_E.dat 915608 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/enthalpy.dat 588 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/error_cg_vol_dist.xvg 18 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/g_cnt.dat 99982 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/iterative_improvement.png 15960 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/iterative_improvement.xvg 915650 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/kinetic_E.dat 28208 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/lammps_angle_CT-CM-CM.table 48915 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/lammps_bond_CM-CM.table 49283 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/lammps_bond_CT-CM.table 116199 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/lammps_nb_CM-CM.table 116353 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/lammps_nb_CT-CM.table 116502 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/lammps_nb_CT-CT.table 2254513 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/log.lammps 158 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/log.txt 2251985 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/out.dat 915560 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/potential_E.dat 930623 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/press.dat 4244796 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/press_tens.dat 78 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/psi.dat 305 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/qsub.sh 176026 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/state1.restart 176026 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/state2.restart 915678 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/temp.dat 945526 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/vdw_E.dat 915599 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/vol.dat 77595 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/vol_dist_comp.png 10901 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/decane/vol_dist_comp.xvg 0 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/ 18 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/AA_g_cnt.dat 0 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/CG_Q.dat 18 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/CG_g_cnt.dat 0 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/HEP_pmatch_indiv.o2103713 42 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/Q.dat 1150982 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/aa_pressures.xvg 399 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/aa_vol_dist.xvg 1125487 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/aa_volumes.xvg 915604 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/angle_E.dat 915646 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/bond_E.dat 930830 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/cg_pressures.dat 399 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/cg_vol_dist.xvg 915557 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/cg_volumes.dat 50906 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/cgheptane.data 3417 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/cgheptane.lmp 640 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/config.ini 318930 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/coul_E.dat 944285 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/enthalpy.dat 588 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/error_cg_vol_dist.xvg 18 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/g_cnt.dat 102051 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/iterative_improvement.png 15976 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/iterative_improvement.xvg 915626 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/kinetic_E.dat 28315 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/lammps_angle_CT-CM-CT.table 49280 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/lammps_bond_CT-CM.table 116284 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/lammps_nb_CM-CM.table 116525 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/lammps_nb_CT-CM.table 116421 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/lammps_nb_CT-CT.table 2254510 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/log.lammps 158 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/log.txt 2251982 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/out.dat 945541 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/potential_E.dat 930701 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/press.dat 4245205 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/press_tens.dat 75 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/psi.dat 306 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/qsub.sh 126898 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/state1.restart 126898 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/state2.restart 915623 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/temp.dat 945502 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/vdw_E.dat 915754 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/vol.dat 84975 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/vol_dist_comp.png 10914 06-06-2017 15:52 alkane_XN_calcs/pmatch/iter3/individual/heptane/vol_dist_comp.xvg 0 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/ 0 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/XN/ 0 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/ 18 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/AA_g_cnt.dat 0 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/CG_Q.dat 18 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/CG_g_cnt.dat 0 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/DEC_pmatch_XN.o2121485 42 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/Q.dat 1136554 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/aa_pressures.xvg 399 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/aa_vol_dist.xvg 1112997 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/aa_volumes.xvg 915590 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/angle_E.dat 915527 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/bond_E.dat 930459 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/cg_pressures.dat 399 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/cg_vol_dist.xvg 915653 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/cg_volumes.dat 72967 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/cgdecane.data 3416 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/cgdecane.lmp 632 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/config.ini 318930 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/coul_E.dat 915499 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/enthalpy.dat 588 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/error_cg_vol_dist.xvg 18 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/g_cnt.dat 100766 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/iterative_improvement.png 17645 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/iterative_improvement.xvg 915546 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/kinetic_E.dat 28205 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/lammps_angle_CT-CM-CM.table 48903 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/lammps_bond_CM-CM.table 49288 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/lammps_bond_CT-CM.table 116143 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/lammps_nb_CM-CM.table 116376 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/lammps_nb_CT-CM.table 116640 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/lammps_nb_CT-CT.table 2254513 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/log.lammps 158 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/log.txt 2251986 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/out.dat 145068312 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/outfile.xtc 915558 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/potential_E.dat 930771 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/press.dat 4244008 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/press_tens.dat 78 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/psi.dat 302 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/qsub.sh 176026 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/state1.restart 176026 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/state2.restart 915734 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/temp.dat 945670 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/vdw_E.dat 915672 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/vol.dat 79295 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/vol_dist_comp.png 10889 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/decane/vol_dist_comp.xvg 0 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/ 18 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/AA_g_cnt.dat 0 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/CG_Q.dat 18 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/CG_g_cnt.dat 0 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/HEP_pmatch_XN.o2112044 42 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/Q.dat 1150982 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/aa_pressures.xvg 399 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/aa_vol_dist.xvg 1125487 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/aa_volumes.xvg 915607 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/angle_E.dat 915649 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/bond_E.dat 930653 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/cg_pressures.dat 399 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/cg_vol_dist.xvg 915640 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/cg_volumes.dat 50906 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/cgheptane.data 3418 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/cgheptane.lmp 632 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/config.ini 318930 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/coul_E.dat 918557 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/enthalpy.dat 588 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/error_cg_vol_dist.xvg 18 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/g_cnt.dat 100989 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/iterative_improvement.png 17641 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/iterative_improvement.xvg 915643 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/kinetic_E.dat 28316 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/lammps_angle_CT-CM-CT.table 49288 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/lammps_bond_CT-CM.table 116143 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/lammps_nb_CM-CM.table 116376 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/lammps_nb_CT-CM.table 116640 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/lammps_nb_CT-CT.table 2254508 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/log.lammps 158 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/log.txt 2251979 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/out.dat 945656 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/potential_E.dat 930796 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/press.dat 4244589 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/press_tens.dat 77 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/psi.dat 303 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/qsub.sh 126898 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/state1.restart 126898 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/state2.restart 915620 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/temp.dat 945526 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/vdw_E.dat 915578 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/vol.dat 77649 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/vol_dist_comp.png 10904 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter4/XN/heptane/vol_dist_comp.xvg 0 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/ 0 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/ 18 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/AA_g_cnt.dat 0 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/BUT_pmatch_indiv.o2111854 0 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/CG_Q.dat 18 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/CG_g_cnt.dat 42 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/Q.dat 1152503 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/aa_pressures.xvg 399 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/aa_vol_dist.xvg 1125482 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/aa_volumes.xvg 318930 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/angle_E.dat 915631 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/bond_E.dat 930667 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/cg_pressures.dat 399 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/cg_vol_dist.xvg 915626 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/cg_volumes.dat 29272 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/cgbutane.data 3306 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/cgbutane.lmp 639 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/config.ini 318930 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/coul_E.dat 943661 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/enthalpy.dat 588 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/error_cg_vol_dist.xvg 18 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/g_cnt.dat 102568 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/iterative_improvement.png 17665 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/iterative_improvement.xvg 915632 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/kinetic_E.dat 50580 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/lammps_bond_CT-CT.table 116643 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/lammps_nb_CT-CT.table 2254364 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/log.lammps 158 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/log.txt 2251947 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/out.dat 945485 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/potential_E.dat 930792 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/press.dat 4255385 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/press_tens.dat 75 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/psi.dat 305 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/qsub.sh 77740 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/state1.restart 77740 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/state2.restart 915635 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/temp.dat 945619 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/vdw_E.dat 915573 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/vol.dat 83505 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/vol_dist_comp.png 10911 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/butane/vol_dist_comp.xvg 0 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/ 18 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/AA_g_cnt.dat 0 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/CG_Q.dat 18 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/CG_g_cnt.dat 0 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/DEC_pmatch_indiv.o2121484 42 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/Q.dat 1136554 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/aa_pressures.xvg 399 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/aa_vol_dist.xvg 1112997 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/aa_volumes.xvg 915582 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/angle_E.dat 751 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/block_error_cg_converged_pv_curve.dat 915659 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/bond_E.dat 608485 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/cg_converged_pv.dat 526 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/cg_converged_pv_curve.dat 930623 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/cg_pressures.dat 399 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/cg_vol_dist.xvg 915599 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/cg_volumes.dat 72967 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/cgdecane.data 3416 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/cgdecane.lmp 640 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/config.ini 318930 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/coul_E.dat 915627 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/enthalpy.dat 763 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/error_cg_converged_pv_curve.dat 588 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/error_cg_vol_dist.xvg 18 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/g_cnt.dat 99466 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/iterative_improvement.png 17658 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/iterative_improvement.xvg 915662 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/kinetic_E.dat 28208 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/lammps_angle_CT-CM-CM.table 48915 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/lammps_bond_CM-CM.table 49283 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/lammps_bond_CT-CM.table 116199 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/lammps_nb_CM-CM.table 116353 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/lammps_nb_CT-CM.table 116502 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/lammps_nb_CT-CT.table 2254514 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/log.lammps 158 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/log.txt 2251987 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/out.dat 145100008 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/outfile.xtc 915680 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/potential_E.dat 930714 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/press.dat 4244266 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/press_tens.dat 78 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/psi.dat 305 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/qsub.sh 349 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/sample_cg_converged_pv_curve.dat 176026 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/state1.restart 176026 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/state2.restart 915697 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/temp.dat 945599 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/vdw_E.dat 915670 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/vol.dat 71427 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/vol_dist_comp.png 10906 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/decane/vol_dist_comp.xvg 0 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/ 18 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/AA_g_cnt.dat 0 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/CG_Q.dat 18 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/CG_g_cnt.dat 0 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/HEP_pmatch_indiv.o2111866 42 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/Q.dat 1150982 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/aa_pressures.xvg 399 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/aa_vol_dist.xvg 1125487 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/aa_volumes.xvg 915564 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/angle_E.dat 915606 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/bond_E.dat 930701 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/cg_pressures.dat 399 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/cg_vol_dist.xvg 915754 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/cg_volumes.dat 50906 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/cgheptane.data 3417 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/cgheptane.lmp 640 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/config.ini 318930 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/coul_E.dat 944054 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/enthalpy.dat 588 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/error_cg_vol_dist.xvg 18 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/g_cnt.dat 103144 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/iterative_improvement.png 17661 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/iterative_improvement.xvg 915680 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/kinetic_E.dat 28315 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/lammps_angle_CT-CM-CT.table 49280 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/lammps_bond_CT-CM.table 116284 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/lammps_nb_CM-CM.table 116525 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/lammps_nb_CT-CM.table 116421 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/lammps_nb_CT-CT.table 2254507 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/log.lammps 158 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/log.txt 2251979 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/out.dat 945583 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/potential_E.dat 930557 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/press.dat 4245345 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/press_tens.dat 75 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/psi.dat 306 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/qsub.sh 126898 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/state1.restart 126898 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/state2.restart 915538 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/temp.dat 945597 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/vdw_E.dat 915408 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/vol.dat 76898 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/vol_dist_comp.png 10903 06-06-2017 15:54 alkane_XN_calcs/pmatch/iter4/individual/heptane/vol_dist_comp.xvg 0 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter5/ 0 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/ 0 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/ 18 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/AA_g_cnt.dat 0 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/CG_Q.dat 18 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/CG_g_cnt.dat 0 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/DEC_pmatch_XN.o2125297 42 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/Q.dat 1136554 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/aa_pressures.xvg 399 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/aa_vol_dist.xvg 1112997 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/aa_volumes.xvg 915644 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/angle_E.dat 915575 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/bond_E.dat 930771 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/cg_pressures.dat 399 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/cg_vol_dist.xvg 915672 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/cg_volumes.dat 72967 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/cgdecane.data 3416 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/cgdecane.lmp 632 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/config.ini 318930 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/coul_E.dat 915542 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/enthalpy.dat 588 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/error_cg_vol_dist.xvg 18 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/g_cnt.dat 102027 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/iterative_improvement.png 19344 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/iterative_improvement.xvg 915536 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/kinetic_E.dat 28205 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/lammps_angle_CT-CM-CM.table 48903 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/lammps_bond_CM-CM.table 49288 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/lammps_bond_CT-CM.table 116143 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/lammps_nb_CM-CM.table 116376 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/lammps_nb_CT-CM.table 116640 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/lammps_nb_CT-CT.table 2254515 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/log.lammps 158 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/log.txt 2251988 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/out.dat 145078024 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/outfile.xtc 915661 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/potential_E.dat 930566 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/press.dat 4244411 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/press_tens.dat 78 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/psi.dat 302 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/qsub.sh 176026 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/state1.restart 176026 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/state2.restart 915670 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/temp.dat 945662 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/vdw_E.dat 915613 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/vol.dat 76303 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/vol_dist_comp.png 10896 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/decane/vol_dist_comp.xvg 0 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/ 18 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/AA_g_cnt.dat 0 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/CG_Q.dat 18 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/CG_g_cnt.dat 0 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/HEP_pmatch_XN.o2121575 42 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/Q.dat 1150982 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/aa_pressures.xvg 399 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/aa_vol_dist.xvg 1125487 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/aa_volumes.xvg 915663 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/angle_E.dat 915635 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/bond_E.dat 930796 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/cg_pressures.dat 83988 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/cg_vol_dist.png 399 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/cg_vol_dist.xvg 915578 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/cg_volumes.dat 50906 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/cgheptane.data 3418 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/cgheptane.lmp 632 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/config.ini 318930 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/coul_E.dat 918613 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/enthalpy.dat 588 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/error_cg_vol_dist.xvg 18 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/g_cnt.dat 104104 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/iterative_improvement.png 19335 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/iterative_improvement.xvg 915601 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/kinetic_E.dat 28316 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/lammps_angle_CT-CM-CT.table 49288 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/lammps_bond_CT-CM.table 116143 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/lammps_nb_CM-CM.table 116376 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/lammps_nb_CT-CM.table 116640 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/lammps_nb_CT-CT.table 2254509 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/log.lammps 158 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/log.txt 2251980 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/out.dat 111845984 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/outfile.xtc 945598 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/potential_E.dat 930509 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/press.dat 4243950 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/press_tens.dat 77 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/psi.dat 303 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/qsub.sh 126898 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/state1.restart 126898 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/state2.restart 915650 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/temp.dat 945610 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/vdw_E.dat 915593 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/vol.dat 10905 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/XN/heptane/vol_dist_comp.xvg 0 06-06-2017 15:55 alkane_XN_calcs/pmatch/iter5/individual/ 0 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/ 18 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/AA_g_cnt.dat 0 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/BUT_pmatch_indiv.o2121528 0 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/CG_Q.dat 18 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/CG_g_cnt.dat 42 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/Q.dat 1152503 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/aa_pressures.xvg 399 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/aa_vol_dist.xvg 1125482 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/aa_volumes.xvg 318930 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/angle_E.dat 915513 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/bond_E.dat 930792 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/cg_pressures.dat 399 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/cg_vol_dist.xvg 915573 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/cg_volumes.dat 29272 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/cgbutane.data 3306 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/cgbutane.lmp 639 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/config.ini 318930 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/coul_E.dat 943653 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/enthalpy.dat 588 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/error_cg_vol_dist.xvg 18 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/g_cnt.dat 107948 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/iterative_improvement.png 19365 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/iterative_improvement.xvg 915516 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/kinetic_E.dat 50580 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/lammps_bond_CT-CT.table 116643 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/lammps_nb_CT-CT.table 2254364 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/log.lammps 158 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/log.txt 2251947 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/out.dat 71505784 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/outfile.xtc 945673 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/potential_E.dat 930658 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/press.dat 4255320 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/press_tens.dat 75 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/psi.dat 305 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/qsub.sh 77740 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/state1.restart 77740 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/state2.restart 915665 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/temp.dat 945548 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/vdw_E.dat 915690 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/vol.dat 84946 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/vol_dist_comp.png 10912 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/butane/vol_dist_comp.xvg 0 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/ 18 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/AA_g_cnt.dat 0 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/CG_Q.dat 18 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/CG_g_cnt.dat 0 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/HEP_pmatch_indiv.o2121530 42 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/Q.dat 1150982 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/aa_pressures.xvg 399 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/aa_vol_dist.xvg 1125487 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/aa_volumes.xvg 915537 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/angle_E.dat 915673 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/bond_E.dat 930557 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/cg_pressures.dat 399 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/cg_vol_dist.xvg 915408 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/cg_volumes.dat 50906 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/cgheptane.data 3417 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/cgheptane.lmp 640 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/config.ini 318930 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/coul_E.dat 944216 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/enthalpy.dat 588 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/error_cg_vol_dist.xvg 18 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/g_cnt.dat 105127 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/iterative_improvement.png 19358 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/iterative_improvement.xvg 915603 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/kinetic_E.dat 28315 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/lammps_angle_CT-CM-CT.table 49280 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/lammps_bond_CT-CM.table 116284 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/lammps_nb_CM-CM.table 116525 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/lammps_nb_CT-CM.table 116421 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/lammps_nb_CT-CT.table 2254505 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/log.lammps 158 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/log.txt 2251977 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/out.dat 111860656 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/outfile.xtc 945524 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/potential_E.dat 930690 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/press.dat 4245195 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/press_tens.dat 75 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/psi.dat 306 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/qsub.sh 126898 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/state1.restart 126898 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/state2.restart 915691 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/temp.dat 945680 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/vdw_E.dat 915613 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/vol.dat 80388 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/vol_dist_comp.png 10911 06-06-2017 15:56 alkane_XN_calcs/pmatch/iter5/individual/heptane/vol_dist_comp.xvg 0 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/ 0 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/XN/ 0 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/ 18 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/AA_g_cnt.dat 0 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/CG_Q.dat 18 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/CG_g_cnt.dat 0 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/DEC_pmatch_XN.o2130267 42 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/Q.dat 1136554 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/aa_pressures.xvg 399 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/aa_vol_dist.xvg 1112997 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/aa_volumes.xvg 915594 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/angle_E.dat 814 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/block_error_cg_converged_pv_curve.dat 915563 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/bond_E.dat 608398 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/cg_converged_pv.dat 571 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/cg_converged_pv_curve.dat 930566 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/cg_pressures.dat 399 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/cg_vol_dist.xvg 915613 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/cg_volumes.dat 72967 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/cgdecane.data 3414 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/cgdecane.lmp 632 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/config.ini 318930 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/coul_E.dat 915579 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/enthalpy.dat 826 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/error_cg_converged_pv_curve.dat 588 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/error_cg_vol_dist.xvg 18 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/g_cnt.dat 103666 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/iterative_improvement.png 21042 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/iterative_improvement.xvg 915570 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/kinetic_E.dat 28205 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/lammps_angle_CT-CM-CM.table 48903 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/lammps_bond_CM-CM.table 49288 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/lammps_bond_CT-CM.table 116143 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/lammps_nb_CM-CM.table 116376 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/lammps_nb_CT-CM.table 116640 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/lammps_nb_CT-CT.table 2254514 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/log.lammps 158 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/log.txt 2251989 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/out.dat 145050736 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/outfile.xtc 915578 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/potential_E.dat 930632 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/press.dat 4244601 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/press_tens.dat 78 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/psi.dat 302 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/qsub.sh 374 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/sample_cg_converged_pv_curve.dat 176026 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/state1.restart 176026 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/state2.restart 915590 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/temp.dat 945598 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/vdw_E.dat 915498 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/vol.dat 74667 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/vol_dist_comp.png 10893 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/decane/vol_dist_comp.xvg 0 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/ 18 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/AA_g_cnt.dat 0 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/CG_Q.dat 18 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/CG_g_cnt.dat 0 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/HEP_pmatch_XN.o2125642 42 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/Q.dat 1150982 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/aa_pressures.xvg 399 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/aa_vol_dist.xvg 1125487 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/aa_volumes.xvg 915623 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/angle_E.dat 915654 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/bond_E.dat 930509 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/cg_pressures.dat 399 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/cg_vol_dist.xvg 915593 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/cg_volumes.dat 50906 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/cgheptane.data 3418 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/cgheptane.lmp 632 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/config.ini 318930 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/coul_E.dat 918612 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/enthalpy.dat 588 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/error_cg_vol_dist.xvg 18 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/g_cnt.dat 106484 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/iterative_improvement.png 21023 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/iterative_improvement.xvg 915597 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/kinetic_E.dat 28316 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/lammps_angle_CT-CM-CT.table 49288 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/lammps_bond_CT-CM.table 116143 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/lammps_nb_CM-CM.table 116376 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/lammps_nb_CT-CM.table 116640 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/lammps_nb_CT-CT.table 2254509 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/log.lammps 158 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/log.txt 2251980 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/out.dat 111886840 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/outfile.xtc 945731 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/potential_E.dat 930549 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/press.dat 4244140 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/press_tens.dat 77 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/psi.dat 303 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/qsub.sh 126898 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/state1.restart 126898 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/state2.restart 915644 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/temp.dat 581659388 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/trajout.trr 945617 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/vdw_E.dat 915520 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/vol.dat 77129 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/vol_dist_comp.png 10899 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter6/XN/heptane/vol_dist_comp.xvg 0 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/ 0 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/ 18 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/AA_g_cnt.dat 0 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/BUT_pmatch_indiv.o2125404 0 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/CG_Q.dat 18 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/CG_g_cnt.dat 42 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/Q.dat 1152503 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/aa_pressures.xvg 399 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/aa_vol_dist.xvg 1125482 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/aa_volumes.xvg 318930 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/angle_E.dat 915650 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/bond_E.dat 930658 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/cg_pressures.dat 399 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/cg_vol_dist.xvg 915690 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/cg_volumes.dat 29272 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/cgbutane.data 3306 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/cgbutane.lmp 639 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/config.ini 318930 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/coul_E.dat 943545 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/enthalpy.dat 588 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/error_cg_vol_dist.xvg 18 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/g_cnt.dat 108858 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/iterative_improvement.png 21062 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/iterative_improvement.xvg 915709 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/kinetic_E.dat 50580 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/lammps_bond_CT-CT.table 116643 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/lammps_nb_CT-CT.table 2254363 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/log.lammps 158 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/log.txt 2251946 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/out.dat 71517836 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/outfile.xtc 945470 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/potential_E.dat 930720 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/press.dat 4255700 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/press_tens.dat 75 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/psi.dat 305 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/qsub.sh 77740 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/state1.restart 77740 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/state2.restart 915638 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/temp.dat 945582 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/vdw_E.dat 915669 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/vol.dat 73567 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/vol_dist_comp.png 10909 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/butane/vol_dist_comp.xvg 0 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/ 18 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/AA_g_cnt.dat 0 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/CG_Q.dat 18 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/CG_g_cnt.dat 0 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/HEP_pmatch_indiv.o2125428 42 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/Q.dat 1150982 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/aa_pressures.xvg 399 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/aa_vol_dist.xvg 1125487 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/aa_volumes.xvg 915543 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/angle_E.dat 813 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/block_error_cg_converged_pv_curve.dat 915624 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/bond_E.dat 608345 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/cg_converged_pv.dat 570 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/cg_converged_pv_curve.dat 930690 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/cg_pressures.dat 399 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/cg_vol_dist.xvg 915613 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/cg_volumes.dat 50906 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/cgheptane.data 3417 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/cgheptane.lmp 640 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/config.ini 318930 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/coul_E.dat 944196 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/enthalpy.dat 827 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/error_cg_converged_pv_curve.dat 588 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/error_cg_vol_dist.xvg 18 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/g_cnt.dat 106598 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/iterative_improvement.png 21058 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/iterative_improvement.xvg 915521 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/kinetic_E.dat 28315 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/lammps_angle_CT-CM-CT.table 49280 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/lammps_bond_CT-CM.table 116284 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/lammps_nb_CM-CM.table 116525 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/lammps_nb_CT-CM.table 116421 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/lammps_nb_CT-CT.table 2254503 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/log.lammps 158 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/log.txt 2251975 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/out.dat 111893428 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/outfile.xtc 945648 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/potential_E.dat 930651 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/press.dat 4245389 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/press_tens.dat 75 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/psi.dat 306 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/qsub.sh 374 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/sample_cg_converged_pv_curve.dat 126898 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/state1.restart 126898 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/state2.restart 915503 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/temp.dat 945529 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/vdw_E.dat 915558 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/vol.dat 75279 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/vol_dist_comp.png 10914 06-06-2017 15:57 alkane_XN_calcs/pmatch/iter6/individual/heptane/vol_dist_comp.xvg 0 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter7/ 0 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/ 0 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/ 18 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/AA_g_cnt.dat 0 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/CG_Q.dat 18 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/CG_g_cnt.dat 0 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/HEP_pmatch_XN.o2130328 42 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/Q.dat 1150982 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/aa_pressures.xvg 399 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/aa_vol_dist.xvg 1125487 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/aa_volumes.xvg 915585 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/angle_E.dat 915590 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/bond_E.dat 930549 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/cg_pressures.dat 399 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/cg_vol_dist.xvg 915520 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/cg_volumes.dat 50906 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/cgheptane.data 3417 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/cgheptane.lmp 632 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/config.ini 318930 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/coul_E.dat 918483 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/enthalpy.dat 588 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/error_cg_vol_dist.xvg 18 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/g_cnt.dat 107015 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/iterative_improvement.png 22713 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/iterative_improvement.xvg 915566 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/kinetic_E.dat 28316 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/lammps_angle_CT-CM-CT.table 49288 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/lammps_bond_CT-CM.table 116143 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/lammps_nb_CM-CM.table 116376 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/lammps_nb_CT-CM.table 116640 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/lammps_nb_CT-CT.table 2254503 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/log.lammps 158 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/log.txt 2251975 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/out.dat 111878576 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/outfile.xtc 945443 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/potential_E.dat 930622 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/press.dat 4244182 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/press_tens.dat 77 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/psi.dat 303 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/qsub.sh 126898 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/state1.restart 126898 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/state2.restart 915583 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/temp.dat 945589 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/vdw_E.dat 915633 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/vol.dat 78348 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/vol_dist_comp.png 10901 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/XN/heptane/vol_dist_comp.xvg 0 06-06-2017 15:58 alkane_XN_calcs/pmatch/iter7/individual/ 0 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/ 18 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/AA_g_cnt.dat 0 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/BUT_pmatch_indiv.o2130285 0 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/CG_Q.dat 18 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/CG_g_cnt.dat 42 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/Q.dat 1152503 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/aa_pressures.xvg 399 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/aa_vol_dist.xvg 1125482 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/aa_volumes.xvg 318930 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/angle_E.dat 915620 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/bond_E.dat 930720 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/cg_pressures.dat 399 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/cg_vol_dist.xvg 915669 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/cg_volumes.dat 29272 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/cgbutane.data 3306 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/cgbutane.lmp 639 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/config.ini 318930 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/coul_E.dat 943560 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/enthalpy.dat 588 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/error_cg_vol_dist.xvg 18 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/g_cnt.dat 111024 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/iterative_improvement.png 22755 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/iterative_improvement.xvg 915551 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/kinetic_E.dat 50580 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/lammps_bond_CT-CT.table 116643 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/lammps_nb_CT-CT.table 2254362 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/log.lammps 158 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/log.txt 2251945 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/out.dat 71525372 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/outfile.xtc 945515 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/potential_E.dat 930829 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/press.dat 4255593 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/press_tens.dat 75 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/psi.dat 305 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/qsub.sh 77740 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/state1.restart 77740 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/state2.restart 915580 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/temp.dat 945659 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/vdw_E.dat 915642 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/vol.dat 85697 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/vol_dist_comp.png 10905 06-06-2017 15:59 alkane_XN_calcs/pmatch/iter7/individual/butane/vol_dist_comp.xvg 0 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/ 0 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/ 0 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/ 18 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/AA_g_cnt.dat 0 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/CG_Q.dat 18 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/CG_g_cnt.dat 0 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/HEP_pmatch_XN.o2134483 42 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/Q.dat 1150982 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/aa_pressures.xvg 399 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/aa_vol_dist.xvg 1125487 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/aa_volumes.xvg 915629 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/angle_E.dat 915544 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/bond_E.dat 930622 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/cg_pressures.dat 399 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/cg_vol_dist.xvg 915633 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/cg_volumes.dat 50906 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/cgheptane.data 3418 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/cgheptane.lmp 632 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/config.ini 318930 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/coul_E.dat 918666 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/enthalpy.dat 588 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/error_cg_vol_dist.xvg 18 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/g_cnt.dat 107538 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/iterative_improvement.png 24407 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/iterative_improvement.xvg 915618 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/kinetic_E.dat 28316 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/lammps_angle_CT-CM-CT.table 49288 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/lammps_bond_CT-CM.table 116143 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/lammps_nb_CM-CM.table 116376 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/lammps_nb_CT-CM.table 116640 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/lammps_nb_CT-CT.table 2254507 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/log.lammps 158 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/log.txt 2251978 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/out.dat 111878552 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/outfile.xtc 945563 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/potential_E.dat 930640 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/press.dat 4244463 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/press_tens.dat 77 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/psi.dat 303 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/qsub.sh 126898 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/state1.restart 126898 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/state2.restart 915566 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/temp.dat 945625 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/vdw_E.dat 915514 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/vol.dat 74635 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/vol_dist_comp.png 10905 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/XN/heptane/vol_dist_comp.xvg 0 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/ 0 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/ 18 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/AA_g_cnt.dat 0 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/BUT_pmatch_indiv.o2134350 0 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/CG_Q.dat 18 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/CG_g_cnt.dat 42 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/Q.dat 1152503 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/aa_pressures.xvg 399 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/aa_vol_dist.xvg 1125482 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/aa_volumes.xvg 318930 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/angle_E.dat 915566 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/bond_E.dat 930829 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/cg_pressures.dat 399 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/cg_vol_dist.xvg 915642 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/cg_volumes.dat 29272 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/cgbutane.data 3306 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/cgbutane.lmp 639 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/config.ini 318930 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/coul_E.dat 943485 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/enthalpy.dat 588 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/error_cg_vol_dist.xvg 18 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/g_cnt.dat 115844 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/iterative_improvement.png 24445 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/iterative_improvement.xvg 915628 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/kinetic_E.dat 50580 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/lammps_bond_CT-CT.table 116643 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/lammps_nb_CT-CT.table 2254365 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/log.lammps 158 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/log.txt 2251948 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/out.dat 71505240 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/outfile.xtc 945581 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/potential_E.dat 930516 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/press.dat --------- ------- 6502355162 1822 files ===================================================== Content of ZIP archive alkane_XN_calcs-14.zip ===================================================== Archive: alkane_XN_calcs-14.zip Length Date Time Name --------- ---------- ----- ---- 4255081 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/press_tens.dat 75 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/psi.dat 305 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/qsub.sh 77740 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/state1.restart 77740 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/state2.restart 915496 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/temp.dat 945543 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/vdw_E.dat 915520 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/vol.dat 79196 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/vol_dist_comp.png 10889 06-06-2017 16:00 alkane_XN_calcs/pmatch/iter8/individual/butane/vol_dist_comp.xvg 0 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/ 0 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/ 0 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/ 18 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/AA_g_cnt.dat 0 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/BUT_pmatch_indiv.o2148017 0 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/CG_Q.dat 18 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/CG_g_cnt.dat 42 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/Q.dat 1152503 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/aa_pressures.xvg 399 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/aa_vol_dist.xvg 1125482 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/aa_volumes.xvg 318930 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/angle_E.dat 915438 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/bond_E.dat 930516 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/cg_pressures.dat 399 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/cg_vol_dist.xvg 915520 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/cg_volumes.dat 29272 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/cgbutane.data 3309 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/cgbutane.lmp 639 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/config.ini 318930 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/coul_E.dat 943391 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/enthalpy.dat 588 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/error_cg_vol_dist.xvg 18 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/g_cnt.dat 124049 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/iterative_improvement.png 26194 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/iterative_improvement.xvg 915623 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/kinetic_E.dat 50580 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/lammps_bond_CT-CT.table 116643 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/lammps_nb_CT-CT.table 2254367 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/log.lammps 158 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/log.txt 2251947 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/out.dat 71475388 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/outfile.xtc 945594 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/potential_E.dat 930724 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/press.dat 4254896 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/press_tens.dat 75 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/psi.dat 285 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/qsub.sh 77740 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/state1.restart 77740 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/state2.restart 915487 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/temp.dat 945615 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/vdw_E.dat 915522 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/vol.dat 75369 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/vol_dist_comp.png 10911 06-06-2017 16:01 alkane_XN_calcs/pmatch/iter9/individual/butane/vol_dist_comp.xvg 40448 06-06-2017 17:14 alkane_XN_calcs/pmatch/pmatch_alkane_XN_finalresults.xls 0 06-06-2017 16:03 alkane_XN_calcs/pmatch/uncorrected/ 899 06-06-2017 16:03 alkane_XN_calcs/pmatch/uncorrected/AA_PV_curve.dat 93431 06-06-2017 16:03 alkane_XN_calcs/pmatch/uncorrected/AAandUncorr_PVcurves.png 16525 06-06-2017 16:03 alkane_XN_calcs/pmatch/uncorrected/AAandUncorr_PVcurves.xvg 0 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/ 0 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/butane/ 38728 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/#mdrun-uncorr_BUT_XN.log.1# 695 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/butane/XN_BUT.dat 992 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/block_error_XN_BUT.dat 36925 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/cg_butane.gro 2177 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/cg_butane.mdp 836 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/cg_butane.top 399 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/cg_vol_dist.xvg 1009 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/error_XN_BUT.dat 588 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/error_cg_vol_dist.xvg 3238 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/grompp-uncorr_BUT_XN.log 15143 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/index.ndx 10346 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/mdout-uncorr_BUT_XN.mdp 12034281 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/mdrun-uncorr_BUT_XN.log 0 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/out.dat 760354 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/pressures.xvg 607126 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/pv.dat 199 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/qsub.sh 2138 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/run_gmx.sh 454 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/sample_XN_BUT.dat 130872 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/state.cpt 130872 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/state_prev.cpt 291929 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/table_CT_CT.xvg 49932 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/table_b0.xvg 49932 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/table_b_CT-CT.xvg 750493 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/temperatures.xvg 36887 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/uncorr_BUT_XN.confout.gro 31801352 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/uncorr_BUT_XN.edr 943 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/uncorr_BUT_XN.o2112672 27944 06-06-2017 16:10 alkane_XN_calcs/pmatch/uncorrected/XN/butane/uncorr_BUT_XN.tpr 1158398612 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/butane/uncorr_BUT_XN.trr 750463 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/butane/volumes.xvg 0 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/ 38912 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/#mdrun-uncorr_DEC_XN.log.1# 73771 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/cg_decane.gro 2192 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/cg_decane.mdp 1338 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/cg_decane.top 3359 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/grompp-uncorr_DEC_XN.log 50817 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/index.ndx 10361 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/mdout-uncorr_DEC_XN.mdp 14375941 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/mdrun-uncorr_DEC_XN.log 199 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/qsub.sh 2138 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/run_gmx.sh 169488 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/state.cpt 169488 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/state_prev.cpt 291640 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/table.xvg 291385 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/table_CM_CM.xvg 291640 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/table_CT_CM.xvg 291929 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/table_CT_CT.xvg 29622 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/table_a0.xvg 29622 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/table_a_CT-CM-CM.xvg 49826 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/table_b0.xvg 49698 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/table_b1.xvg 49698 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/table_b_CM-CM.xvg 49826 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/table_b_CT-CM.xvg 73733 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/uncorr_DEC_XN.confout.gro 36841616 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/uncorr_DEC_XN.edr 943 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/uncorr_DEC_XN.o2112695 58260 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/uncorr_DEC_XN.tpr 2311877060 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/uncorr_DEC_XN.trr 799630 06-06-2017 16:12 alkane_XN_calcs/pmatch/uncorrected/XN/decane/volumes.xvg 0 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/ 38728 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/#mdrun-uncorr_HEP_XN.log.1# 55348 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/cg_heptane.gro 2239 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/cg_heptane.mdp 1195 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/cg_heptane.top 3304 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/grompp-uncorr_HEP_XN.log 34264 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/index.ndx 10361 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/mdout-uncorr_HEP_XN.mdp 12941601 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/mdrun-uncorr_HEP_XN.log 199 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/qsub.sh 2142 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/run_gmx.sh 150264 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/state.cpt 150264 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/state_prev.cpt 291640 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/table.xvg 291385 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/table_CM_CM.xvg 291640 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/table_CT_CM.xvg 291929 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/table_CT_CT.xvg 29637 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/table_a0.xvg 29637 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/table_a_CT-CM-CT.xvg 49826 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/table_b0.xvg 49826 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/table_b_CT-CM.xvg 55310 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/uncorr_HEP_XN.confout.gro 36841616 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/uncorr_HEP_XN.edr 943 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/uncorr_HEP_XN.o2112674 44168 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/uncorr_HEP_XN.tpr --------- ------- 3724016664 146 files ===================================================== Content of ZIP archive alkane_XN_calcs-15.zip ===================================================== Archive: alkane_XN_calcs-15.zip Length Date Time Name --------- ---------- ----- ---- 1735137836 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/uncorr_HEP_XN.trr 798637 06-06-2017 16:11 alkane_XN_calcs/pmatch/uncorrected/XN/heptane/volumes.xvg 1286 06-06-2017 16:03 alkane_XN_calcs/pmatch/uncorrected/block_error_AA_PV_curve.dat 1334 06-06-2017 16:03 alkane_XN_calcs/pmatch/uncorrected/error_AA_PV_curve.dat 0 06-06-2017 16:03 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alkane_XN_calcs/pmatch/uncorrected/individual/butane/uncorr_BUT_indiv.trr 750493 06-06-2017 16:03 alkane_XN_calcs/pmatch/uncorrected/individual/butane/volumes.xvg 0 06-06-2017 16:09 alkane_XN_calcs/pmatch/uncorrected/individual/decane/ 10364 06-06-2017 16:08 alkane_XN_calcs/pmatch/uncorrected/individual/decane/#mdout-uncorr_DEC_indiv.mdp.1# 38961 06-06-2017 16:08 alkane_XN_calcs/pmatch/uncorrected/individual/decane/#mdrun-uncorr_DEC_indiv.log.1# 38448 06-06-2017 16:08 alkane_XN_calcs/pmatch/uncorrected/individual/decane/#mdrun-uncorr_DEC_indiv.log.2# 36841616 06-06-2017 16:08 alkane_XN_calcs/pmatch/uncorrected/individual/decane/#uncorr_DEC_indiv.edr.1# 58260 06-06-2017 16:08 alkane_XN_calcs/pmatch/uncorrected/individual/decane/#uncorr_DEC_indiv.tpr.1# --------- ------- 2978868138 44 files ===================================================== Content of ZIP archive alkane_XN_calcs-16.zip ===================================================== Archive: alkane_XN_calcs-16.zip Length Date 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alkane_XN_calcs/pmatch/uncorrected/individual/heptane/index.ndx 10364 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/mdout-uncorr_HEP_indiv.mdp 12935001 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/mdrun-uncorr_HEP_indiv.log 759991 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/pressures.xvg 202 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/qsub.sh 2145 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/run_gmx.sh 150268 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/state.cpt 150268 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/state_prev.cpt 291790 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/table.xvg 291529 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/table_CM_CM.xvg 291790 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/table_CT_CM.xvg 291708 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/table_CT_CT.xvg 29638 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/table_a0.xvg 29638 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/table_a_CT-CM-CT.xvg 49827 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/table_b0.xvg 49827 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/table_b_CT-CM.xvg 750487 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/temperatures.xvg 55310 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/uncorr_HEP_indiv.confout.gro 36841616 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/uncorr_HEP_indiv.edr 943 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/uncorr_HEP_indiv.o2112642 943 06-06-2017 16:07 alkane_XN_calcs/pmatch/uncorrected/individual/heptane/uncorr_HEP_indiv.o2112654 44168 06-06-2017 16:07 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09-01-2016 13:32 alkane_XN_calcs/troubleshooting/decane/table_a_CT-CM-CM.xvg 49814 09-01-2016 13:32 alkane_XN_calcs/troubleshooting/decane/table_b0.xvg 49698 09-01-2016 13:32 alkane_XN_calcs/troubleshooting/decane/table_b1.xvg 49698 09-01-2016 13:32 alkane_XN_calcs/troubleshooting/decane/table_b_CM-CM.xvg 49814 09-01-2016 13:32 alkane_XN_calcs/troubleshooting/decane/table_b_CT-CM.xvg 0 06-05-2017 15:46 alkane_XN_calcs/troubleshooting/evaporating_butane/ 0 09-27-2016 16:14 alkane_XN_calcs/troubleshooting/evaporating_butane/iter0/ 0 09-27-2016 16:14 alkane_XN_calcs/troubleshooting/evaporating_butane/iter0/BUT_pmatch_XN.o2087940 53 09-27-2016 16:14 alkane_XN_calcs/troubleshooting/evaporating_butane/iter0/Q.dat 1152503 09-27-2016 16:14 alkane_XN_calcs/troubleshooting/evaporating_butane/iter0/aa_pressures.xvg 399 09-27-2016 16:14 alkane_XN_calcs/troubleshooting/evaporating_butane/iter0/aa_vol_dist.xvg 1125482 09-27-2016 16:14 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15:56 alkane_XN_calcs/troubleshooting/evaporating_butane/iter1/vdw_E.dat 56915042 09-27-2016 15:56 alkane_XN_calcs/troubleshooting/evaporating_butane/iter1/vol.dat 13174 09-27-2016 15:56 alkane_XN_calcs/troubleshooting/evaporating_butane/iter1/vol_test.dat 0 06-05-2017 15:46 alkane_XN_calcs/troubleshooting/first_frame/ 25796 08-24-2016 12:33 alkane_XN_calcs/troubleshooting/first_frame/butane_firstframe.trr 62268 08-24-2016 12:33 alkane_XN_calcs/troubleshooting/first_frame/butane_firstframe.txt 27956 08-24-2016 12:33 alkane_XN_calcs/troubleshooting/first_frame/cg_butane.tpr 58344 08-24-2016 12:34 alkane_XN_calcs/troubleshooting/first_frame/cg_decane.tpr 44192 08-24-2016 12:33 alkane_XN_calcs/troubleshooting/first_frame/cg_heptane.tpr 58252 08-24-2016 12:34 alkane_XN_calcs/troubleshooting/first_frame/cg_octane.tpr 44192 08-24-2016 12:33 alkane_XN_calcs/troubleshooting/first_frame/cg_pentane.tpr 3672128 08-25-2016 09:42 alkane_XN_calcs/troubleshooting/first_frame/cgff 51428 08-24-2016 12:34 alkane_XN_calcs/troubleshooting/first_frame/decane_firstframe.trr 124220 08-24-2016 12:34 alkane_XN_calcs/troubleshooting/first_frame/decane_firstframe.txt 38612 08-24-2016 12:33 alkane_XN_calcs/troubleshooting/first_frame/heptane_firstframe.trr 93247 08-24-2016 12:33 alkane_XN_calcs/troubleshooting/first_frame/heptane_firstframe.txt 254 08-25-2016 09:13 alkane_XN_calcs/troubleshooting/first_frame/inp.txt 51428 08-24-2016 12:34 alkane_XN_calcs/troubleshooting/first_frame/octane_firstframe.trr 124220 08-24-2016 12:34 alkane_XN_calcs/troubleshooting/first_frame/octane_firstframe.txt 2558 08-25-2016 09:13 alkane_XN_calcs/troubleshooting/first_frame/par.txt 38612 08-24-2016 12:33 alkane_XN_calcs/troubleshooting/first_frame/pentane_firstframe.trr 93247 08-24-2016 12:33 alkane_XN_calcs/troubleshooting/first_frame/pentane_firstframe.txt 0 06-05-2017 15:46 alkane_XN_calcs/troubleshooting/make_tables/ 0 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/XN/ 291385 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/XN/table_CM_CM.xvg 291640 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/XN/table_CT_CM.xvg 291929 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/XN/table_CT_CT.xvg 29622 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/XN/table_a_CT-CM-CM.xvg 29637 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/XN/table_a_CT-CM-CT.xvg 49698 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/XN/table_b_CM-CM.xvg 49826 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/XN/table_b_CT-CM.xvg 49932 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/XN/table_b_CT-CT.xvg 0 01-09-2017 10:06 alkane_XN_calcs/troubleshooting/make_tables/butane_indiv/ 291932 01-09-2017 09:41 alkane_XN_calcs/troubleshooting/make_tables/butane_indiv/table_CT_CT.xvg 49933 01-09-2017 09:41 alkane_XN_calcs/troubleshooting/make_tables/butane_indiv/table_b_CT-CT.xvg 0 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/decane_indiv/ 291440 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/decane_indiv/table_CM_CM.xvg 291615 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/decane_indiv/table_CT_CM.xvg 291784 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/decane_indiv/table_CT_CT.xvg 29621 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/decane_indiv/table_a_CT-CM-CM.xvg 49698 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/decane_indiv/table_b_CM-CM.xvg 49815 01-09-2017 09:42 alkane_XN_calcs/troubleshooting/make_tables/decane_indiv/table_b_CT-CM.xvg 0 01-09-2017 09:41 alkane_XN_calcs/troubleshooting/make_tables/heptane_indiv/ 291529 01-09-2017 09:41 alkane_XN_calcs/troubleshooting/make_tables/heptane_indiv/table_CM_CM.xvg 291790 01-09-2017 09:41 alkane_XN_calcs/troubleshooting/make_tables/heptane_indiv/table_CT_CM.xvg 291708 01-09-2017 09:41 alkane_XN_calcs/troubleshooting/make_tables/heptane_indiv/table_CT_CT.xvg 29638 01-09-2017 09:41 alkane_XN_calcs/troubleshooting/make_tables/heptane_indiv/table_a_CT-CM-CT.xvg 49827 01-09-2017 09:41 alkane_XN_calcs/troubleshooting/make_tables/heptane_indiv/table_b_CT-CM.xvg 0 06-05-2017 15:46 alkane_XN_calcs/troubleshooting/pmatching_results/ 0 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/ 0 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/BUT_pmatch_indiv.o2154498 399 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/aa_vol_dist.xvg 318930 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/angle_E.dat 1041 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/block_error_cg_converged_pv_curve.dat 915618 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/bond_E.dat 608454 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/cg_converged_pv.dat 726 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/cg_converged_pv_curve.dat 399 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/cg_vol_dist.xvg 29272 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/cgbutane.data 3306 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/cgbutane.lmp 318930 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/coul_E.dat 943431 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/enthalpy.dat 1058 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/error_cg_converged_pv_curve.dat 588 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/error_cg_vol_dist.xvg 915762 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/kinetic_E.dat 50580 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/lammps_bond_CT-CT.table 116643 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/lammps_nb_CT-CT.table 2254364 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/log.lammps 2251947 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/out.dat 71502796 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/outfile.xtc 945696 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/potential_E.dat 930629 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/press.dat 4255560 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/press_tens.dat 285 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/qsub.sh 483 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/sample_cg_converged_pv_curve.dat 77740 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/state1.restart 77740 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/state2.restart 915567 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/temp.dat 945600 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/vdw_E.dat 915585 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/vol.dat 77833 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/vol_dist_comp.png 10911 12-05-2016 10:48 alkane_XN_calcs/troubleshooting/pmatching_results/butane_indiv/vol_dist_comp.xvg 0 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/ 18 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/AA_g_cnt.dat 0 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/CG_Q.dat 18 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/CG_g_cnt.dat 0 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/DEC_pmatch_XN.o2130267 42 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/Q.dat 1136554 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/aa_pressures.xvg 399 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/aa_vol_dist.xvg 1112997 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/aa_volumes.xvg 915594 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/angle_E.dat 814 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/block_error_cg_converged_pv_curve.dat 915563 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/bond_E.dat 608398 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/cg_converged_pv.dat 571 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/cg_converged_pv_curve.dat 930566 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/cg_pressures.dat 399 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/cg_vol_dist.xvg 915613 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/cg_volumes.dat 72967 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/cgdecane.data 3414 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/cgdecane.lmp 632 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/config.ini 318930 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/coul_E.dat 915579 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/enthalpy.dat 826 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/error_cg_converged_pv_curve.dat 588 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/error_cg_vol_dist.xvg 18 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/g_cnt.dat 103666 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/iterative_improvement.png 21042 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/iterative_improvement.xvg 915570 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/kinetic_E.dat 28205 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/lammps_angle_CT-CM-CM.table 48903 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/lammps_bond_CM-CM.table 49288 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/lammps_bond_CT-CM.table 116143 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/lammps_nb_CM-CM.table 116376 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/lammps_nb_CT-CM.table 116640 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/lammps_nb_CT-CT.table 2254514 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/log.lammps 158 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/log.txt 2251989 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/out.dat 145050736 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/outfile.xtc 915578 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/potential_E.dat 930632 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/press.dat 4244601 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/press_tens.dat 78 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/psi.dat 302 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/qsub.sh 374 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/sample_cg_converged_pv_curve.dat 176026 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/state1.restart 176026 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/state2.restart 915590 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/temp.dat 945598 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/vdw_E.dat 915498 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/vol.dat 74667 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/vol_dist_comp.png 10893 12-05-2016 10:52 alkane_XN_calcs/troubleshooting/pmatching_results/decane_XN/vol_dist_comp.xvg 0 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/ 18 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/AA_g_cnt.dat 0 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/CG_Q.dat 18 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/CG_g_cnt.dat 0 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/DEC_pmatch_indiv.o2121484 42 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/Q.dat 1136554 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/aa_pressures.xvg 399 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/aa_vol_dist.xvg 1112997 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/aa_volumes.xvg 915582 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/angle_E.dat 751 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/block_error_cg_converged_pv_curve.dat 915659 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/bond_E.dat 608485 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/cg_converged_pv.dat 526 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/cg_converged_pv_curve.dat 930623 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/cg_pressures.dat 399 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/cg_vol_dist.xvg 915599 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/cg_volumes.dat 72967 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/cgdecane.data 3416 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/cgdecane.lmp 640 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/config.ini 318930 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/coul_E.dat 915627 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/enthalpy.dat 763 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/error_cg_converged_pv_curve.dat 588 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/error_cg_vol_dist.xvg 18 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/g_cnt.dat 99466 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/iterative_improvement.png 17658 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/iterative_improvement.xvg 915662 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/kinetic_E.dat 28208 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/lammps_angle_CT-CM-CM.table 48915 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/lammps_bond_CM-CM.table 49283 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/lammps_bond_CT-CM.table 116199 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/lammps_nb_CM-CM.table 116353 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/lammps_nb_CT-CM.table 116502 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/lammps_nb_CT-CT.table 2254514 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/log.lammps 158 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/log.txt 2251987 12-05-2016 10:49 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/out.dat 145100008 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/outfile.xtc 915680 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/potential_E.dat 930714 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/press.dat 4244266 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/press_tens.dat 78 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/psi.dat 305 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/qsub.sh 349 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/sample_cg_converged_pv_curve.dat 176026 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/state1.restart 176026 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/state2.restart 915697 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/temp.dat 945599 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/vdw_E.dat 915670 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/vol.dat 71427 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/vol_dist_comp.png 10906 12-05-2016 10:50 alkane_XN_calcs/troubleshooting/pmatching_results/decane_indiv/vol_dist_comp.xvg 0 12-05-2016 11:24 alkane_XN_calcs/troubleshooting/pmatching_results/final_analysis/ 77502 12-05-2016 11:24 alkane_XN_calcs/troubleshooting/pmatching_results/final_analysis/XN_decane_PVcurves.png 13731 12-05-2016 11:24 alkane_XN_calcs/troubleshooting/pmatching_results/final_analysis/XN_decane_PVcurves.xvg 1770705 12-05-2016 11:24 alkane_XN_calcs/troubleshooting/pmatching_results/final_analysis/XN_decane_Rg.xvg 2793 12-05-2016 11:24 alkane_XN_calcs/troubleshooting/pmatching_results/final_analysis/XN_decane_angledist_CTCMCM.xvg 4605 12-05-2016 11:24 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