===================================================== Content of ZIP archive Pressure_Matching-01.zip ===================================================== Archive: Pressure_Matching-01.zip Length Date Time Name --------- ---------- ----- ---- 0 03-10-2020 13:16 Pressure_Matching/ 0 03-10-2020 13:14 Pressure_Matching/Analysis/ 131 03-10-2020 13:14 Pressure_Matching/Analysis/270_volpotl.dat 160 03-10-2020 13:14 Pressure_Matching/Analysis/330_volpotl.dat 252 03-10-2020 13:14 Pressure_Matching/Analysis/400_volpotl.dat 224750 03-10-2020 13:14 Pressure_Matching/Analysis/PV_EOS.png 69584 03-10-2020 13:14 Pressure_Matching/Analysis/PV_EOS.xvg 4933 03-10-2020 13:14 Pressure_Matching/Analysis/xmgraceplot.bat 0 03-10-2020 13:16 Pressure_Matching/Distributions/ 420 03-10-2020 13:16 Pressure_Matching/Distributions/270_aa_vol.dat 420 03-10-2020 13:16 Pressure_Matching/Distributions/270_iter0_vol.dat 420 03-10-2020 13:16 Pressure_Matching/Distributions/270_iter1_vol.dat 420 03-10-2020 13:16 Pressure_Matching/Distributions/330_aa_vol.dat 420 03-10-2020 13:16 Pressure_Matching/Distributions/330_iter0_vol.dat 420 03-10-2020 13:16 Pressure_Matching/Distributions/330_iter1_vol.dat 420 03-10-2020 13:16 Pressure_Matching/Distributions/400_aa_vol.dat 420 03-10-2020 13:16 Pressure_Matching/Distributions/400_iter0_vol.dat 420 03-10-2020 13:16 Pressure_Matching/Distributions/400_iter1_vol.dat 609 03-10-2020 13:16 Pressure_Matching/Distributions/error_270_aa_vol.dat 609 03-10-2020 13:16 Pressure_Matching/Distributions/error_270_iter0_vol.dat 609 03-10-2020 13:16 Pressure_Matching/Distributions/error_270_iter1_vol.dat 609 03-10-2020 13:16 Pressure_Matching/Distributions/error_330_aa_vol.dat 609 03-10-2020 13:16 Pressure_Matching/Distributions/error_330_iter0_vol.dat 609 03-10-2020 13:16 Pressure_Matching/Distributions/error_330_iter1_vol.dat 609 03-10-2020 13:16 Pressure_Matching/Distributions/error_400_aa_vol.dat 609 03-10-2020 13:16 Pressure_Matching/Distributions/error_400_iter0_vol.dat 609 03-10-2020 13:16 Pressure_Matching/Distributions/error_400_iter1_vol.dat 0 03-10-2020 13:15 Pressure_Matching/iteration_one/ 0 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/ 18 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/AA_g_cnt.dat 0 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/CG_Q.dat 18 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/CG_g_cnt.dat 42 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/Q.dat 640 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/config.ini 18 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/g_cnt.dat 29145 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/lammps_b_angle.table 67792 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/lammps_b_bond.table 158 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/log.txt 44 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/press.dat 79 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/psi.dat 0 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/ 0 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/ 0 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/MSD/ 7668 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/MSD/MSD_270.o14219641 7766 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/MSD/MSD_270.o14282549 352 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/MSD/msd.sh 23810 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/MSD/msd.xvg 0 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/ 414 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/1rdf.sh 418 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/2rdf.sh 418 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/3rdf.sh 418 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/4rdf.sh 418 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/5rdf.sh 0 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CM/ 381 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CM/1rdf.sh 385 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CM/2rdf.sh 385 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CM/3rdf.sh 385 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CM/4rdf.sh 385 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CM/5rdf.sh 53507 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CM/avgrdf.xvg 34668 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CM/b1_rdf.xvg 34702 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CM/b2_rdf.xvg 34713 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CM/b3_rdf.xvg 34688 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CM/b4_rdf.xvg 34701 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CM/b5_rdf.xvg 1433 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CM/rdf_avg.py 0 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CT/ 387 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CT/1rdf.sh 391 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CT/2rdf.sh 391 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CT/3rdf.sh 391 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CT/4rdf.sh 391 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CT/5rdf.sh 49524 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CT/avgrdf.xvg 34676 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CT/b1_rdf.xvg 34692 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CT/b2_rdf.xvg 34716 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CT/b3_rdf.xvg 34691 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CT/b4_rdf.xvg 34709 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CT/b5_rdf.xvg 1433 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CM_CT/rdf_avg.py 0 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CT_CT/ 387 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CT_CT/1rdf.sh 391 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CT_CT/2rdf.sh 391 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CT_CT/3rdf.sh 391 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CT_CT/4rdf.sh 391 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CT_CT/5rdf.sh 49761 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CT_CT/avgrdf.xvg 34698 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CT_CT/b1_rdf.xvg 34662 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CT_CT/b2_rdf.xvg 34707 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CT_CT/b3_rdf.xvg 34680 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CT_CT/b4_rdf.xvg 34719 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CT_CT/b5_rdf.xvg 1433 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/CT_CT/rdf_avg.py 52943 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/avgrdf.xvg 34713 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/b1_rdf.xvg 34701 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/b2_rdf.xvg 34750 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/b3_rdf.xvg 34718 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/b4_rdf.xvg 34745 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/b5_rdf.xvg 1433 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/Analysis/RDF/rdf_avg.py 1164 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/PVcurve.bw.0.1.dat 2460003 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/angle_E.dat 2460106 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/bond_E.dat 2230 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/cg.mdp 48687 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/cg_otp.ndx 361 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/cg_otp.top 127464 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/cg_otp_270.tpr 127464 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/cg_otp_70ns.tpr 4621177764 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/cg_otp_80ns_WHOLE.trr 2744 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/cgotp270.lmp 868930 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/coul_E.dat 2459933 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/enthalpy.dat 2459936 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/kinetic_E.dat 49 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/lammps.data 58 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/lammps_b_angle.table 57 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/lammps_b_bond.table 58 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/lammps_nb_CMCM.table 58 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/lammps_nb_CMCT.table 58 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/lammps_nb_CTCT.table 6003837 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/log.lammps 4621177764 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/otp_800_npt270.trr 6008618 03-10-2020 13:14 Pressure_Matching/iteration_one/270K/test_sim/out.dat 846472624 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/outfile.xtc 0 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/p_match270.o13457432 2460082 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/potential_E.dat 2500229 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/press.dat 11337193 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/press_tens.dat 378534 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/state1.restart 378534 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/state2.restart 339 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/sub.sh 2460144 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/temp.dat 2459983 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/vdw_E.dat 2459810 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/test_sim/vol.dat 42 03-10-2020 13:15 Pressure_Matching/iteration_one/270K/vol.dat 0 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/ 18 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/AA_g_cnt.dat 0 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/CG_Q.dat 18 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/CG_g_cnt.dat 42 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/Q.dat 640 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/config.ini 18 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/g_cnt.dat 158 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/log.txt 44 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/press.dat 79 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/psi.dat 0 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/ 0 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/ 0 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/MSD/ 7668 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/MSD/MSD_330.o14219669 7723 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/MSD/MSD_330.o14282564 352 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/MSD/msd.sh 0 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/RDF/ 414 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/RDF/1rdf.sh 418 03-10-2020 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Pressure_Matching/iteration_one/330K/test_sim/Analysis/RDF/CT_CT/b5_rdf.xvg 1433 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/RDF/CT_CT/rdf_avg.py 51760 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/RDF/avgrdf.xvg 34915 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/RDF/b1_rdf.xvg 34858 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/RDF/b2_rdf.xvg 34905 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/RDF/b3_rdf.xvg 34850 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/RDF/b4_rdf.xvg 34893 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/RDF/b5_rdf.xvg 1433 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/Analysis/RDF/rdf_avg.py 1517 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/PVcurve.bw.0.1.dat 2460157 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/angle_E.dat 2460006 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/bond_E.dat 48687 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/cg_otp.ndx 361 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/cg_otp.top 127464 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/cg_otp_330.tpr 127464 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/cg_otp_70ns.tpr --------- ------- 10143812939 208 files ===================================================== Content of ZIP archive Pressure_Matching-02.zip ===================================================== Archive: Pressure_Matching-02.zip Length Date Time Name --------- ---------- ----- ---- 4621177764 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/cg_otp_80ns_WHOLE.trr 2744 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/cgotp330.lmp 868930 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/coul_E.dat 2459994 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/enthalpy.dat 2460076 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/kinetic_E.dat 49 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/lammps.data 58 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/lammps_b_angle.table 57 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/lammps_b_bond.table 58 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/lammps_nb_CMCM.table 58 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/lammps_nb_CMCT.table 58 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/lammps_nb_CTCT.table 6003835 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/log.lammps 4621177764 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/otp_800_npt330.trr 6008584 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/out.dat 847418824 03-10-2020 13:15 Pressure_Matching/iteration_one/330K/test_sim/outfile.xtc 0 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Pressure_Matching/iteration_one/400K/AA_g_cnt.dat 0 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/CG_Q.dat 18 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/CG_g_cnt.dat 42 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/Q.dat 640 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/config.ini 18 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/g_cnt.dat 158 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/log.txt 44 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/press.dat 79 03-10-2020 13:15 Pressure_Matching/iteration_one/400K/psi.dat 0 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/ 0 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/ 0 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/MSD/ 6808 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/MSD/MSD_400.o14219699 7723 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/MSD/MSD_400.o14282597 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Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CM/4rdf.sh 385 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CM/5rdf.sh 52935 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CM/avgrdf.xvg 34692 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CM/b1_rdf.xvg 35422 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CM/b2_rdf.xvg 35394 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CM/b3_rdf.xvg 35437 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CM/b4_rdf.xvg 35416 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CM/b5_rdf.xvg 1433 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CM/rdf_avg.py 0 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CT/ 387 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CT/1rdf.sh 391 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CT/2rdf.sh 391 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CT/3rdf.sh 391 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CT/4rdf.sh 391 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CT/5rdf.sh 49303 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CT/avgrdf.xvg 34687 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CT/b1_rdf.xvg 35433 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CT/b2_rdf.xvg 35408 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CT/b3_rdf.xvg 35413 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CT/b4_rdf.xvg 35394 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CT/b5_rdf.xvg 1433 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CM_CT/rdf_avg.py 0 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CT_CT/ 387 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CT_CT/1rdf.sh 391 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CT_CT/2rdf.sh 391 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CT_CT/3rdf.sh 391 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CT_CT/4rdf.sh 391 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CT_CT/5rdf.sh 49228 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CT_CT/avgrdf.xvg 34658 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/CT_CT/b1_rdf.xvg 35426 03-10-2020 13:16 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Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/b5_rdf.xvg 1433 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/Analysis/RDF/rdf_avg.py 2401 03-10-2020 13:15 Pressure_Matching/iteration_one/400K/test_sim/PVcurve.bw.0.1.dat 2460090 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/angle_E.dat 2460049 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/bond_E.dat 48687 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/cg_otp.ndx 361 03-10-2020 13:15 Pressure_Matching/iteration_one/400K/test_sim/cg_otp.top 127464 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/cg_otp_400.tpr 127464 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/cg_otp_70ns.tpr --------- ------- 10138178951 101 files ===================================================== Content of ZIP archive Pressure_Matching-03.zip ===================================================== Archive: Pressure_Matching-03.zip Length Date Time Name --------- ---------- ----- ---- 4621177764 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/cg_otp_80ns_WHOLE.trr 2745 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/cgotp400.lmp 868930 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/coul_E.dat 2460167 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/enthalpy.dat 2460078 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/kinetic_E.dat 49 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/lammps.data 58 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/lammps_b_angle.table 57 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/lammps_b_bond.table 58 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/lammps_nb_CMCM.table 58 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/lammps_nb_CMCT.table 58 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/lammps_nb_CTCT.table 6003843 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/log.lammps 4621177764 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/otp_800_npt400.trr 6008623 03-10-2020 13:15 Pressure_Matching/iteration_one/400K/test_sim/out.dat 848226220 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/outfile.xtc 0 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/p_match400.o13458591 2459953 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/potential_E.dat 2500215 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/press.dat 11337126 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/press_tens.dat 16817 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/sample_vol.dat 71347 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/sample_vol.png 378534 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/state1.restart 378534 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/state2.restart 339 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/sub.sh 2460079 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/temp.dat 2460076 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/vdw_E.dat 2460024 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/test_sim/vol.dat 42 03-10-2020 13:16 Pressure_Matching/iteration_one/400K/vol.dat 0 03-10-2020 13:14 Pressure_Matching/iteration_zero/ 0 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/ 49 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/Q.dat 607 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/config.ini 18 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/g_cnt.dat 79 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/log.txt 79 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/psi.dat 0 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/ 1851 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/PVcurve.bw.0.1.dat 2460062 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/angle_E.dat 2459959 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/bond_E.dat 2744 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/cgotp270.lmp 868930 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/coul_E.dat 118270 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/data.cgotp270 43 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/dump_lmp_conv.txt 2459922 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/enthalpy.dat 165648 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/gro.file 2460212 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/kinetic_E.dat 111656 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/lammps.data 29145 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/lammps_b_angle.table 67792 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/lammps_b_bond.table 116244 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/lammps_nb_CMCM.table 116249 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/lammps_nb_CMCT.table 116842 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/lammps_nb_CTCT.table 6003842 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/log.lammps 620 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/mol_type_top_dump.txt 1209 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/new.top 6008591 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/out.dat 846390116 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/outfile.xtc 0 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/p_match270.o13398690 0 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/p_match270.o13398840 0 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/p_match270.o13419670 2459990 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/potential_E.dat 2500448 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/press.dat 11337603 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/press_tens.dat 378534 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/state1.restart 378534 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/state2.restart 339 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/sub.sh 2460054 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/temp.dat 2459934 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/vdw_E.dat 2460064 03-10-2020 13:14 Pressure_Matching/iteration_zero/270K/test_sim/vol.dat 0 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/ 52 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/Q.dat 33 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/cg_pressures.xvg 607 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/config.ini 18 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/g_cnt.dat 79 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/log.txt 78 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/psi.dat 0 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/ 2783 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/PVcurve.bw.0.1.dat 128 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/angleIDs.txt 2460155 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/angle_E.dat 87 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/bondIDs.txt 2459994 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/bond_E.dat 2744 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/cgotp330.lmp 868930 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/coul_E.dat 144 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/dihedralIDs.txt 43 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/dump_lmp_conv.txt 2460108 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/enthalpy.dat 165648 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/gro.file 2460122 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/kinetic_E.dat 111598 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/lammps.data 29154 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/lammps_b_angle.table 67874 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/lammps_b_bond.table 116828 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/lammps_nb_CMCM.table 116416 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/lammps_nb_CMCT.table 116519 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/lammps_nb_CTCT.table 6003840 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/log.lammps 638 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/mol_type_top_dump.txt 6008621 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/out.dat --------- ------- 11050759078 98 files ===================================================== Content of ZIP archive Pressure_Matching-04.zip ===================================================== Archive: Pressure_Matching-04.zip Length Date Time Name --------- ---------- ----- ---- 847361216 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/outfile.xtc 0 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/p_match330.o13399056 0 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/p_match330.o13419707 2459862 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/potential_E.dat 2500776 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/press.dat 11337682 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/press_tens.dat 378534 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/state1.restart 378534 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/state2.restart 339 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/sub.sh 2460019 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/temp.dat 484 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/top.itp 2460073 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/vdw_E.dat 2459920 03-10-2020 13:14 Pressure_Matching/iteration_zero/330K/test_sim/vol.dat 0 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/ 50 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/Q.dat 607 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/config.ini 18 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/g_cnt.dat 79 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/log.txt 79 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/psi.dat 0 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/ 3730 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/PVcurve.bw.0.1.dat 128 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/angleIDs.txt 2460042 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/angle_E.dat 87 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/bondIDs.txt 2459941 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/bond_E.dat 2745 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/cgotp400.lmp 868930 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/coul_E.dat 144 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/dihedralIDs.txt 43 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/dump_lmp_conv.txt 2459985 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/enthalpy.dat 165648 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/gro.file 2460203 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/kinetic_E.dat 111656 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/lammps.data 29428 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/lammps_b_angle.table 67864 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/lammps_b_bond.table 116903 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/lammps_nb_CMCM.table 116831 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/lammps_nb_CMCT.table 116674 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/lammps_nb_CTCT.table 6003838 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/log.lammps 620 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/mol_type_top_dump.txt 6008586 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/out.dat 848303836 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/outfile.xtc 0 03-10-2020 13:14 Pressure_Matching/iteration_zero/400K/test_sim/p_match400.o13415037 0 03-10-2020 13:14 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