Index of /10.11582_2022.00010/simulations_analyses/MD_simulations/PIPLC_DMPC_JACS_Cedric/2nd_sim/scr
Name
Last modified
Size
Description
Parent Directory
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EDP_PLOTS_2nd_sim_dmpc/
2021-12-13 01:38
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FLOP_last_frame_500_ns.pdb
2014-11-04 17:24
7.5M
FLOP_last_frame_500_ns.pdb.md5
2021-12-13 01:38
32
FLOP_last_frame_500_ns_dmpc_2nd_sim.pdb
2014-11-04 17:24
7.5M
FLOP_last_frame_500_ns_dmpc_2nd_sim.pdb.md5
2021-12-13 01:38
32
FLOP_merda_caca
2013-12-17 15:22
125K
FLOP_merda_caca.md5
2021-12-13 01:38
32
Interaction_energy_charged_merged.agr
2013-12-17 15:25
33K
Interaction_energy_charged_merged.agr.md5
2021-12-13 01:38
32
Interaction_energy_charged_merged.dat
2013-12-17 15:23
39K
Interaction_energy_charged_merged.dat.md5
2021-12-13 01:38
32
Interactions_energy_from_simulations/
2014-01-23 16:16
-
Nuovo_interaction_energy_with_PME_prot/
2021-12-13 01:38
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analyseBilayerXST.awk
2013-12-06 17:02
621
analyseBilayerXST.awk.md5
2021-12-13 01:38
32
arg71_memb.dat
2013-12-09 16:25
31K
arg71_memb.dat.md5
2021-12-13 01:38
32
catdcd_EDP_merging_command
2013-12-09 15:54
208
catdcd_EDP_merging_command.md5
2021-12-13 01:38
32
catdcd_command_to_extract_pdb
2014-11-04 17:24
171
catdcd_command_to_extract_pdb.md5
2021-12-13 01:38
32
conf_660ns.pdb
2013-12-06 17:02
7.7M
conf_660ns.pdb.md5
2021-12-13 01:38
32
do_energy_prot_memb.sh
2014-06-26 15:43
685
do_energy_prot_memb.sh.md5
2021-12-13 01:38
32
do_wrapping_for_many_dcd_files.sh
2013-12-06 17:02
372
do_wrapping_for_many_dcd_files.sh.md5
2021-12-13 01:38
32
dyna_files.tgz
2013-12-06 17:02
143M
dyna_files.tgz.md5
2021-12-13 01:38
32
h81-v89_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.0-to-50ns.dcd.rms
2013-12-06 17:02
151K
h81-v89_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.0-to-50ns.dcd.rms.md5
2021-12-13 01:38
32
h81-v89_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.50-to-200ns.dcd.rms
2013-12-06 17:02
454K
h81-v89_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.50-to-200ns.dcd.rms.md5
2021-12-13 01:38
32
h81-v89_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.200-to-350ns.dcd.rms
2013-12-06 17:02
454K
h81-v89_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.200-to-350ns.dcd.rms.md5
2021-12-13 01:38
32
h81-v89_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.350-to-500ns.dcd.rms
2013-12-06 17:02
454K
h81-v89_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.350-to-500ns.dcd.rms.md5
2021-12-13 01:38
32
k38-g48_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.0-to-50ns.dcd.rms
2013-12-06 17:02
151K
k38-g48_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.0-to-50ns.dcd.rms.md5
2021-12-13 01:38
32
k38-g48_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.50-to-200ns.dcd.rms
2013-12-06 17:02
454K
k38-g48_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.50-to-200ns.dcd.rms.md5
2021-12-13 01:38
32
k38-g48_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.200-to-350ns.dcd.rms
2013-12-06 17:02
454K
k38-g48_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.200-to-350ns.dcd.rms.md5
2021-12-13 01:38
32
k38-g48_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.350-to-500ns.dcd.rms
2013-12-06 17:02
454K
k38-g48_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.350-to-500ns.dcd.rms.md5
2021-12-13 01:38
32
lys38_memb.dat
2013-12-09 15:58
31K
lys38_memb.dat.md5
2021-12-13 01:38
32
lys44_memb.dat
2013-12-09 16:02
31K
lys44_memb.dat.md5
2021-12-13 01:38
32
lys279_memb.dat
2013-12-09 16:15
31K
lys279_memb.dat.md5
2021-12-13 01:38
32
namd_merge.inp
2014-05-13 11:34
1.6K
namd_merge.inp.md5
2021-12-13 01:38
32
pbctools.tcl
2013-12-06 17:02
26K
pbctools.tcl.md5
2021-12-13 01:38
32
pbcwrap.tcl
2013-12-06 17:02
17K
pbcwrap.tcl.md5
2021-12-13 01:38
32
pc100.sim2.rmsd.h81-v89.rms
2013-12-06 17:02
765K
pc100.sim2.rmsd.h81-v89.rms.md5
2021-12-13 01:38
32
pc100.sim2.rmsd.k38-g48.rms
2013-12-06 17:02
765K
pc100.sim2.rmsd.k38-g48.rms.md5
2021-12-13 01:38
32
pc100.sim2.rmsd.s236-y248.rms
2013-12-06 17:02
765K
pc100.sim2.rmsd.s236-y248.rms.md5
2021-12-13 01:38
32
piplc_dmpc_pro7_final.pdb.for_anal.solv.psf
2013-12-06 17:02
19M
piplc_dmpc_pro7_final.pdb.for_anal.solv.psf.md5
2021-12-13 01:38
32
piplc_dmpc_pro7_final.pdb.solv.crd
2013-12-06 17:02
6.8M
piplc_dmpc_pro7_final.pdb.solv.crd.md5
2021-12-13 01:38
32
piplc_dmpc_pro7_final.pdb.solv.pdb
2013-12-06 17:02
7.3M
piplc_dmpc_pro7_final.pdb.solv.pdb.md5
2021-12-13 01:38
32
piplc_dmpc_pro7_final.pdb.solv.psf.tgz
2013-12-06 17:02
1.6M
piplc_dmpc_pro7_final.pdb.solv.psf.tgz.md5
2021-12-13 01:38
32
piplc_dmpc_pro7_final.pdb.xplor.psf
2013-01-02 11:16
19M
piplc_dmpc_pro7_final.pdb.xplor.psf.md5
2021-12-13 01:38
32
piplc_dmpc_pro7_final.pdb.xplor.psf.tgz
2013-12-06 17:02
1.6M
piplc_dmpc_pro7_final.pdb.xplor.psf.tgz.md5
2021-12-13 01:38
32
piplc_pro7memb.dyna_desolv.crd
2013-12-06 17:02
2.3M
piplc_pro7memb.dyna_desolv.crd.md5
2021-12-13 01:38
32
piplc_pro7memb.dyna_desolv.pdb
2013-12-06 17:02
2.5M
piplc_pro7memb.dyna_desolv.pdb.md5
2021-12-13 01:38
32
piplc_pro7memb.dyna_desolv.psf
2013-12-06 17:02
9.0M
piplc_pro7memb.dyna_desolv.psf.md5
2021-12-13 01:38
32
prod_final_50_500_ns_wrapped_truncated_for_EDP.dcd
2013-12-09 15:53
515M
prod_final_50_500_ns_wrapped_truncated_for_EDP.dcd.md5
2021-12-13 01:38
32
prodall.sa.dat.ra
2013-12-06 17:02
4.3M
prodall.sa.dat.ra.md5
2021-12-13 01:38
32
prodall.sa.dat.ra.prm
2013-12-06 17:02
225
prodall.sa.dat.ra.prm.md5
2021-12-13 01:38
32
prodall.sa.dat.ra_12.png
2013-12-06 17:02
33K
prodall.sa.dat.ra_12.png.md5
2021-12-13 01:38
32
prot_memb.dat
2014-01-23 16:24
37K
prot_memb.dat.md5
2021-12-13 01:38
32
s236-y248_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.0-to-50ns.dcd.rms
2013-12-06 17:02
151K
s236-y248_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.0-to-50ns.dcd.rms.md5
2021-12-13 01:38
32
s236-y248_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.50-to-200ns.dcd.rms
2013-12-06 17:02
454K
s236-y248_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.50-to-200ns.dcd.rms.md5
2021-12-13 01:38
32
s236-y248_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.200-to-350ns.dcd.rms
2013-12-06 17:02
454K
s236-y248_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.200-to-350ns.dcd.rms.md5
2021-12-13 01:38
32
s236-y248_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.350-to-500ns.dcd.rms
2013-12-06 17:02
454K
s236-y248_rmsd.piplc_dmpc_pro7_final.pdb.solv.crd.350-to-500ns.dcd.rms.md5
2021-12-13 01:38
32
test.pdb
2013-12-06 17:02
2.7M
test.pdb.md5
2021-12-13 01:38
32
test.sh
2013-12-06 17:02
188
test.sh.md5
2021-12-13 01:38
32
wrap2.tmp
2013-12-06 17:02
663
wrap2.tmp.md5
2021-12-13 01:38
32
wrap2.vmd
2013-12-06 17:02
663
wrap2.vmd.md5
2021-12-13 01:38
32