Index of /10.11582_2022.00010/simulations_analyses/MD_simulations/pi_plc_dmpg_100_2nd_run/scr

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory  -  
[ ]0_50_ns_wrapped.dcd2013-07-15 02:48 5.3G 
[ ]0_50_ns_wrapped.dcd.md52021-12-13 00:45 32  
[ ]0_50_ns_wrapped_protmemb.dcd2013-07-15 03:21 1.8G 
[ ]0_50_ns_wrapped_protmemb.dcd.md52021-12-13 00:44 32  
[ ]0_50_ns_wrapped_protmemb_truncated.dcd2013-07-16 20:19 37M 
[ ]0_50_ns_wrapped_protmemb_truncated.dcd.md52021-12-13 00:46 32  
[ ]0_50_ns_wrapped_truncated.dcd2013-07-19 09:56 109M 
[ ]0_50_ns_wrapped_truncated.dcd.md52021-12-13 00:44 32  
[ ]0_50_ns_wrapped_truncated_to_chk.vmd2013-07-19 10:07 23K 
[ ]0_50_ns_wrapped_truncated_to_chk.vmd.md52021-12-13 00:47 32  
[ ]0_200_ns_wrapped_protmemb.dcd2013-08-06 12:25 7.3G 
[ ]0_200_ns_wrapped_protmemb.dcd.md52021-12-13 00:46 32  
[TXT]1_build.inp2013-07-10 18:53 4.6K 
[ ]1_build.inp.md52021-12-13 00:44 32  
[ ]1_build.out2013-07-10 18:52 2.7M 
[ ]1_build.out.md52021-12-13 00:45 32  
[ ]1_build_memb_del.out2013-07-10 18:59 2.7M 
[ ]1_build_memb_del.out.md52021-12-13 00:45 32  
[TXT]2_minimise.inp2013-07-09 17:17 7.8K 
[ ]2_minimise.inp.md52021-12-13 00:48 32  
[ ]2_minimise.out2013-07-11 08:34 50M 
[ ]2_minimise.out.md52021-12-13 00:47 32  
[TXT]3_createWaterBox.vmd2013-07-11 17:27 1.5K 
[ ]3_createWaterBox.vmd.md52021-12-13 00:45 32  
[TXT]4_build_after_solvate.inp2013-07-09 17:17 3.8K 
[ ]4_build_after_solvate.inp.md52021-12-13 00:45 32  
[ ]4_build_after_solvate.out2013-07-11 17:56 1.8M 
[ ]4_build_after_solvate.out.md52021-12-13 00:47 32  
[ ]20_30_ns_wrapped.dcd2013-07-17 04:03 1.1G 
[ ]20_30_ns_wrapped.dcd.md52021-12-13 00:45 32  
[ ]20_30_ns_wrapped_protmemb.dcd2013-07-17 04:05 375M 
[ ]20_30_ns_wrapped_protmemb.dcd.md52021-12-13 00:44 32  
[ ]50_100_ns_wrapped.dcd2013-07-29 12:46 5.3G 
[ ]50_100_ns_wrapped.dcd.md52021-12-13 00:45 32  
[ ]50_100_ns_wrapped_protmemb.dcd2013-07-29 12:52 1.8G 
[ ]50_100_ns_wrapped_protmemb.dcd.md52021-12-13 00:45 32  
[ ]50_100_ns_wrapped_truncated.dcd2013-07-29 13:44 109M 
[ ]50_100_ns_wrapped_truncated.dcd.md52021-12-13 00:47 32  
[ ]100_150_ns_wrapped.dcd2013-08-01 15:53 5.3G 
[ ]100_150_ns_wrapped.dcd.md52021-12-13 00:47 32  
[ ]100_150_ns_wrapped_protmemb.dcd2013-08-01 16:01 1.8G 
[ ]100_150_ns_wrapped_protmemb.dcd.md52021-12-13 00:47 32  
[ ]150_200_ns_wrapped.dcd2013-08-02 18:05 5.3G 
[ ]150_200_ns_wrapped.dcd.md52021-12-13 00:44 32  
[ ]150_200_ns_wrapped_protmemb.dcd2013-08-02 18:12 1.8G 
[ ]150_200_ns_wrapped_protmemb.dcd.md52021-12-13 00:47 32  
[ ]150_200_ns_wrapped_protmemb_truncated.dcd2013-08-05 04:06 19M 
[ ]150_200_ns_wrapped_protmemb_truncated.dcd.md52021-12-13 00:45 32  
[DIR]EDP_plot_test/2021-12-13 00:48 -  
[DIR]EDP_plots/2021-12-13 00:48 -  
[DIR]EDP_plots_on_windows_10_ns/2021-12-13 00:48 -  
[DIR]EDP_plots_on_windows_50_ns/2021-12-13 00:48 -  
[ ]FLOP_50_ns_last_frame.pdb2013-07-15 02:54 7.2M 
[ ]FLOP_50_ns_last_frame.pdb.md52021-12-13 00:46 32  
[ ]FLOP_100_ns_last_frame.pdb2013-07-29 13:40 7.2M 
[ ]FLOP_100_ns_last_frame.pdb.md52021-12-13 00:44 32  
[ ]FLOP_150_ns_last_frame.pdb2013-08-01 16:35 7.2M 
[ ]FLOP_150_ns_last_frame.pdb.md52021-12-13 00:45 32  
[ ]FLOP_200_ns_last_frame.pdb2013-08-05 09:25 7.2M 
[ ]FLOP_200_ns_last_frame.pdb.md52021-12-13 00:48 32  
[ ]FLOP_200_ns_last_frame_DMPG_2nd_sim.pdb2013-08-05 09:29 7.2M 
[ ]FLOP_200_ns_last_frame_DMPG_2nd_sim.pdb.md52021-12-13 00:45 32  
[ ]FLOP_prod1_last_frame.pdb2013-07-15 02:18 7.2M 
[ ]FLOP_prod1_last_frame.pdb.md52021-12-13 00:47 32  
[ ]FLOP_prod2_last_frame.pdb2013-07-15 02:53 7.2M 
[ ]FLOP_prod2_last_frame.pdb.md52021-12-13 00:47 32  
[ ]FLOP_prod5_last_frame.pdb2013-08-01 16:36 7.2M 
[ ]FLOP_prod5_last_frame.pdb.md52021-12-13 00:45 32  
[ ]catdcd_commands_pdb_extract2013-08-05 09:24 1.0K 
[ ]catdcd_commands_pdb_extract.md52021-12-13 00:45 32  
[ ]catdcd_merging_command2014-11-11 15:16 1.4K 
[ ]catdcd_merging_command.md52021-12-13 00:44 32  
[ ]cellsize.sh2013-07-09 17:17 2.8K 
[ ]cellsize.sh.md52021-12-13 00:45 32  
[TXT]charmmpdb.py2013-07-09 17:17 23K 
[ ]charmmpdb.py.md52021-12-13 00:45 32  
[ ]charmmpdb.pyc2013-07-11 17:38 22K 
[ ]charmmpdb.pyc.md52021-12-13 00:48 32  
[ ]createions.str2013-07-11 17:51 724  
[ ]createions.str.md52021-12-13 00:47 32  
[ ]crystalwater_allh2.pdb2013-07-11 17:41 59K 
[ ]crystalwater_allh2.pdb.md52021-12-13 00:45 32  
[ ]dimensions2013-07-11 18:13 218  
[ ]dimensions.md52021-12-13 00:48 32  
[ ]do_wrapping_for_many_dcd_files.sh2013-08-02 17:39 483  
[ ]do_wrapping_for_many_dcd_files.sh.md52021-12-13 00:45 32  
[DIR]equilibration/2021-12-13 00:48 -  
[DIR]figures_imp_detachment_DMPG_2nd_sim/2021-12-13 00:48 -  
[ ]fixed_atoms.pdb2013-07-11 18:11 7.2M 
[ ]fixed_atoms.pdb.md52021-12-13 00:45 32  
[ ]hydrogen_bond.pml2013-08-01 17:13 1.8K 
[ ]hydrogen_bond.pml.md52021-12-13 00:45 32  
[ ]hydrogen_bond_another.pml2013-08-12 11:16 1.3K 
[ ]hydrogen_bond_another.pml.md52021-12-13 00:44 32  
[ ]ions2.pdb2013-07-11 17:39 18K 
[ ]ions2.pdb.md52021-12-13 00:45 32  
[ ]list_of_lipid_to_delete2013-07-09 17:17 130  
[ ]list_of_lipid_to_delete.md52021-12-13 00:45 32  
[ ]log.pml2013-07-09 17:17 295  
[ ]log.pml.md52021-12-13 00:47 32  
[ ]log_to_view_membrane_prot_overlap.pml2013-07-09 17:17 295  
[ ]log_to_view_membrane_prot_overlap.pml.md52021-12-13 00:47 32  
[ ]membrane_allh2.pdb2013-07-11 17:39 2.1M 
[ ]membrane_allh2.pdb.md52021-12-13 00:44 32  
[DIR]minimization/2021-12-13 00:48 -  
[TXT]namd_merge.inp2013-08-02 18:08 1.7K 
[ ]namd_merge.inp.md52021-12-13 00:45 32  
[ ]namd_merge_0_50_ns.out2013-07-15 03:21 12K 
[ ]namd_merge_0_50_ns.out.md52021-12-13 00:45 32  
[ ]namd_merge_50_100_ns.out2013-07-29 12:52 12K 
[ ]namd_merge_50_100_ns.out.md52021-12-13 00:48 32  
[ ]namd_merge_100_150_ns.out2013-08-01 16:01 12K 
[ ]namd_merge_100_150_ns.out.md52021-12-13 00:46 32  
[ ]namd_merge_150_200.out2013-08-02 18:12 12K 
[ ]namd_merge_150_200.out.md52021-12-13 00:48 32  
[ ]p32013-07-09 17:17 877  
[ ]p3.md52021-12-13 00:45 32  
[ ]pbctools.tcl2013-07-09 17:17 26K 
[ ]pbctools.tcl.md52021-12-13 00:46 32  
[ ]pbcwrap.tcl2013-07-09 17:17 17K 
[ ]pbcwrap.tcl.md52021-12-13 00:46 32  
[DIR]pdb_files_from_last_step/2021-12-13 00:48 -  
[ ]pdb_from_wrapped_dcd_catdcd_command2013-07-09 17:17 420  
[ ]pdb_from_wrapped_dcd_catdcd_command.md52021-12-13 00:46 32  
[ ]piplc_bound_to_dmpg_allh.crd2013-07-10 18:59 4.0M 
[ ]piplc_bound_to_dmpg_allh.crd.md52021-12-13 00:48 32  
[ ]piplc_bound_to_dmpg_allh.enr2013-07-11 03:22 4.3K 
[ ]piplc_bound_to_dmpg_allh.enr.md52021-12-13 00:44 32  
[ ]piplc_bound_to_dmpg_allh.pdb2013-07-10 18:59 4.4M 
[ ]piplc_bound_to_dmpg_allh.pdb.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh.psf2013-07-10 18:59 13M 
[ ]piplc_bound_to_dmpg_allh.psf.md52021-12-13 00:48 32  
[ ]piplc_bound_to_dmpg_allh.rms2013-07-11 08:34 1.0K 
[ ]piplc_bound_to_dmpg_allh.rms.md52021-12-13 00:48 32  
[ ]piplc_bound_to_dmpg_allh_1200.crd2013-07-10 20:43 4.4M 
[ ]piplc_bound_to_dmpg_allh_1200.crd.md52021-12-13 00:44 32  
[ ]piplc_bound_to_dmpg_allh_1200.pdb2013-07-10 19:54 4.4M 
[ ]piplc_bound_to_dmpg_allh_1200.pdb.md52021-12-13 00:46 32  
[ ]piplc_bound_to_dmpg_allh_2400.crd2013-07-10 21:33 4.4M 
[ ]piplc_bound_to_dmpg_allh_2400.crd.md52021-12-13 00:44 32  
[ ]piplc_bound_to_dmpg_allh_2400.pdb2013-07-10 20:43 4.4M 
[ ]piplc_bound_to_dmpg_allh_2400.pdb.md52021-12-13 00:48 32  
[ ]piplc_bound_to_dmpg_allh_3600.crd2013-07-10 22:22 4.4M 
[ ]piplc_bound_to_dmpg_allh_3600.crd.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh_3600.pdb2013-07-10 21:33 4.4M 
[ ]piplc_bound_to_dmpg_allh_3600.pdb.md52021-12-13 00:47 32  
[ ]piplc_bound_to_dmpg_allh_4800.crd2013-07-10 23:12 4.4M 
[ ]piplc_bound_to_dmpg_allh_4800.crd.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh_4800.pdb2013-07-10 22:22 4.4M 
[ ]piplc_bound_to_dmpg_allh_4800.pdb.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh_6000.crd2013-07-11 00:02 4.4M 
[ ]piplc_bound_to_dmpg_allh_6000.crd.md52021-12-13 00:47 32  
[ ]piplc_bound_to_dmpg_allh_6000.pdb2013-07-10 23:12 4.4M 
[ ]piplc_bound_to_dmpg_allh_6000.pdb.md52021-12-13 00:47 32  
[ ]piplc_bound_to_dmpg_allh_7200.crd2013-07-11 00:51 4.4M 
[ ]piplc_bound_to_dmpg_allh_7200.crd.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh_7200.pdb2013-07-11 00:02 4.4M 
[ ]piplc_bound_to_dmpg_allh_7200.pdb.md52021-12-13 00:44 32  
[ ]piplc_bound_to_dmpg_allh_8400.crd2013-07-11 01:41 4.4M 
[ ]piplc_bound_to_dmpg_allh_8400.crd.md52021-12-13 00:46 32  
[ ]piplc_bound_to_dmpg_allh_8400.pdb2013-07-11 00:51 4.4M 
[ ]piplc_bound_to_dmpg_allh_8400.pdb.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh_9600.crd2013-07-11 02:32 4.4M 
[ ]piplc_bound_to_dmpg_allh_9600.crd.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh_9600.pdb2013-07-11 01:41 4.4M 
[ ]piplc_bound_to_dmpg_allh_9600.pdb.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh_10800.crd2013-07-11 03:22 4.4M 
[ ]piplc_bound_to_dmpg_allh_10800.crd.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh_10800.pdb2013-07-11 02:32 4.4M 
[ ]piplc_bound_to_dmpg_allh_10800.pdb.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh_12000.crd2013-07-11 03:22 4.4M 
[ ]piplc_bound_to_dmpg_allh_12000.crd.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh_12000.pdb2013-07-11 03:22 4.4M 
[ ]piplc_bound_to_dmpg_allh_12000.pdb.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh_final.crd2013-07-11 08:34 4.0M 
[ ]piplc_bound_to_dmpg_allh_final.crd.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh_final.pdb2013-07-11 08:34 4.4M 
[ ]piplc_bound_to_dmpg_allh_final.pdb.md52021-12-13 00:47 32  
[TXT]piplc_bound_to_dmpg_allh_final_TEMP.log2013-07-11 17:28 412  
[TXT]piplc_bound_to_dmpg_allh_final_TEMP.log.md52021-12-13 00:45 32  
[ ]piplc_bound_to_dmpg_allh_intermediate.pdb2013-07-11 08:34 4.4M 
[ ]piplc_bound_to_dmpg_allh_intermediate.pdb.md52021-12-13 00:47 32  
[ ]piplc_bound_to_dmpg_xplor.xplor.psf2013-07-10 18:59 13M 
[ ]piplc_bound_to_dmpg_xplor.xplor.psf.md52021-12-13 00:48 32  
[IMG]piplc_detachment_after_200_ns.png2014-10-02 16:57 564K 
[IMG]piplc_detachment_after_200_ns.png.md52021-12-13 00:46 32  
[ ]piplc_dmpg_prot_final.pdb.for_anal.solv.psf2013-07-11 17:56 18M 
[ ]piplc_dmpg_prot_final.pdb.for_anal.solv.psf.md52021-12-13 00:44 32  
[ ]piplc_dmpg_prot_final.pdb.solv.crd2013-07-11 17:56 6.5M 
[ ]piplc_dmpg_prot_final.pdb.solv.crd.md52021-12-13 00:46 32  
[ ]piplc_dmpg_prot_final.pdb.solv.pdb2013-07-11 17:56 7.0M 
[ ]piplc_dmpg_prot_final.pdb.solv.pdb.md52021-12-13 00:44 32  
[ ]piplc_dmpg_prot_final.pdb.xplor.psf2013-07-11 17:56 18M 
[ ]piplc_dmpg_prot_final.pdb.xplor.psf.md52021-12-13 00:45 32  
[IMG]piplc_initail_docking_0_ns.png2014-10-02 17:01 553K 
[IMG]piplc_initail_docking_0_ns.png.md52021-12-13 00:45 32  
[ ]piplc_protmemb.dyna_desolv.crd2013-08-02 18:12 2.2M 
[ ]piplc_protmemb.dyna_desolv.crd.md52021-12-13 00:45 32  
[ ]piplc_protmemb.dyna_desolv.pdb2013-08-02 18:12 2.4M 
[ ]piplc_protmemb.dyna_desolv.pdb.md52021-12-13 00:44 32  
[ ]piplc_protmemb.dyna_desolv.psf2013-08-02 18:12 8.5M 
[ ]piplc_protmemb.dyna_desolv.psf.md52021-12-13 00:45 32  
[ ]prod1.dcd2013-07-12 17:08 1.1G 
[ ]prod1.dcd.md52021-12-13 00:47 32  
[ ]prod1.xst2013-07-12 17:07 116K 
[ ]prod1.xst.md52021-12-13 00:45 32  
[ ]prod1_wrapped.dcd2013-07-12 17:16 1.1G 
[ ]prod1_wrapped.dcd.md52021-12-13 00:46 32  
[ ]prod2.dcd2013-07-15 02:16 4.3G 
[ ]prod2.dcd.md52021-12-13 00:47 32  
[ ]prod2.xst2013-07-15 02:13 431K 
[ ]prod2.xst.md52021-12-13 00:48 32  
[ ]prod2_wrapped.dcd2013-07-15 02:35 4.3G 
[ ]prod2_wrapped.dcd.md52021-12-13 00:48 32  
[ ]prod3.dcd2013-07-27 14:27 5.3G 
[ ]prod3.dcd.md52021-12-13 00:48 32  
[ ]prod3.xst2013-07-27 14:25 539K 
[ ]prod3.xst.md52021-12-13 00:44 32  
[ ]prod3_wrapped.dcd2013-07-27 15:10 5.3G 
[ ]prod3_wrapped.dcd.md52021-12-13 00:46 32  
[ ]prod4.dcd2013-07-29 14:41 3.6G 
[ ]prod4.dcd.md52021-12-13 00:47 32  
[ ]prod4.xst2013-07-29 14:40 363K 
[ ]prod4.xst.md52021-12-13 00:48 32  
[ ]prod4_wrapped.dcd2013-07-29 15:08 3.6G 
[ ]prod4_wrapped.dcd.md52021-12-13 00:48 32  
[ ]prod4_wrapped_truncated.dcd2013-07-30 14:48 74M 
[ ]prod4_wrapped_truncated.dcd.md52021-12-13 00:48 32  
[ ]prod4_wrapped_truncated_chk.vmd2013-07-30 15:30 30K 
[ ]prod4_wrapped_truncated_chk.vmd.md52021-12-13 00:45 32  
[ ]prod5.dcd2013-08-01 14:23 5.3G 
[ ]prod5.dcd.md52021-12-13 00:47 32  
[ ]prod5.xst2013-08-01 14:21 539K 
[ ]prod5.xst.md52021-12-13 00:47 32  
[ ]prod5_wrapped.dcd2013-08-01 15:23 5.3G 
[ ]prod5_wrapped.dcd.md52021-12-13 00:45 32  
[ ]prod5_wrapped_truncated_chk.dcd2013-08-01 16:10 55M 
[ ]prod5_wrapped_truncated_chk.dcd.md52021-12-13 00:46 32  
[ ]prod6.dcd2013-08-02 17:38 2.1G 
[ ]prod6.dcd.md52021-12-13 00:48 32  
[ ]prod6.xst2013-08-02 17:37 214K 
[ ]prod6.xst.md52021-12-13 00:47 32  
[ ]prod6_wrapped.dcd2013-08-02 17:57 2.1G 
[ ]prod6_wrapped.dcd.md52021-12-13 00:48 32  
[ ]prod_final_0_200_ns_wrapped_truncated_for_EDP.dcd2014-11-11 15:17 218M 
[ ]prod_final_0_200_ns_wrapped_truncated_for_EDP.dcd.md52021-12-13 00:47 32  
[DIR]production/2021-12-13 00:48 -  
[ ]protein_t_allh2.pdb2013-07-11 17:39 362K 
[ ]protein_t_allh2.pdb.md52021-12-13 00:46 32  
[ ]refor.sh2013-07-09 17:17 2.2K 
[ ]refor.sh.md52021-12-13 00:46 32  
[ ]sasa_calculation.pml2013-11-27 17:00 733  
[ ]sasa_calculation.pml.md52021-12-13 00:45 32  
[ ]segid_solv.pdb2013-07-11 17:42 1.8M 
[ ]segid_solv.pdb.md52021-12-13 00:47 32  
[ ]solv_box.pdb2013-07-11 17:29 7.2M 
[ ]solv_box.pdb.md52021-12-13 00:46 32  
[ ]solv_box.psf2013-07-11 17:29 13M 
[ ]solv_box.psf.md52021-12-13 00:45 32  
[ ]solvboxwater_allh2.pdb02013-07-11 17:39 2.2M 
[ ]solvboxwater_allh2.pdb0.md52021-12-13 00:47 32  
[ ]solvboxwater_allh2.pdb12013-07-11 17:39 492K 
[ ]solvboxwater_allh2.pdb1.md52021-12-13 00:47 32  
[ ]surface_area_calculation.pml2013-11-25 10:20 916  
[ ]surface_area_calculation.pml.md52021-12-13 00:48 32  
[ ]test.pdb2013-07-10 18:54 2.5M 
[ ]test.pdb.md52021-12-13 00:45 32  
[ ]to_view_polar_contacts_pymol.pml2013-07-09 17:17 519  
[ ]to_view_polar_contacts_pymol.pml.md52021-12-13 00:45 32  
[ ]vmd_command_for_restraint2013-07-09 17:17 264  
[ ]vmd_command_for_restraint.md52021-12-13 00:48 32  
[ ]vmd_command_for_restraint.tcl2013-07-09 17:17 199  
[ ]vmd_command_for_restraint.tcl.md52021-12-13 00:45 32  
[ ]wrap2.tmp2013-07-09 17:17 725  
[ ]wrap2.tmp.md52021-12-13 00:48 32  
[ ]wrap2.vmd2013-08-02 17:39 723  
[ ]wrap2.vmd.md52021-12-13 00:46 32  
[ ]wrapping_chk_prod12013-07-12 17:16 137K 
[ ]wrapping_chk_prod1.md52021-12-13 00:47 32  
[ ]wrapping_chk_prod22013-07-15 02:35 516K 
[ ]wrapping_chk_prod2.md52021-12-13 00:46 32  
[ ]wrapping_chk_prod32013-07-27 15:10 645K 
[ ]wrapping_chk_prod3.md52021-12-13 00:48 32  
[ ]wrapping_chk_prod42013-07-29 15:09 435K 
[ ]wrapping_chk_prod4.md52021-12-13 00:45 32