Index of /10.11582_2022.00013/paper4_analysis/07_groel_groes_mmpbsa/180

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory  -  
[ ]utils.pyc.md52022-02-16 16:22 32  
[ ]utils.pyc2011-04-01 14:36 132K 
[ ]utils.py.md52022-02-16 16:22 32  
[TXT]utils.py2011-04-01 14:35 227K 
[ ]sander.md52022-02-16 16:22 32  
[ ]sander2011-04-01 14:36 8.9M 
[ ]restrt.md52022-02-16 16:22 32  
[ ]restrt2011-04-01 14:35 2.3M 
[ ]ptraj.md52022-02-16 16:22 32  
[ ]ptraj2011-04-01 14:36 3.2M 
[ ]inputparse.pyc.md52022-02-16 16:22 32  
[ ]inputparse.pyc2011-04-01 14:35 7.1K 
[ ]inputparse.py.md52022-02-16 16:22 32  
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[ ]alamdcrd.pyc.md52022-02-16 16:22 32  
[ ]alamdcrd.pyc2011-04-01 14:35 5.4K 
[ ]alamdcrd.py.md52022-02-16 16:22 32  
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[ ]_MMPBSA_rectraj.in.md52022-02-16 16:22 32  
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[ ]_MMPBSA_rectraj.in.192011-04-01 14:36 73  
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[ ]_MMPBSA_rectraj.in.182011-04-01 14:36 73  
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[ ]_MMPBSA_rectraj.in.152011-04-01 14:35 73  
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[ ]_MMPBSA_rectraj.in.142011-04-01 14:35 73  
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[ ]_MMPBSA_rectraj.in.132011-04-01 14:35 73  
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[ ]_MMPBSA_rectraj.in.122011-04-01 14:36 73  
[ ]_MMPBSA_rectraj.in.11.md52022-02-16 16:22 32  
[ ]_MMPBSA_rectraj.in.112011-04-01 14:36 73  
[ ]_MMPBSA_rectraj.in.10.md52022-02-16 16:22 32  
[ ]_MMPBSA_rectraj.in.102011-04-01 14:36 73  
[ ]_MMPBSA_rectraj.in.9.md52022-02-16 16:22 32  
[ ]_MMPBSA_rectraj.in.92011-04-01 14:36 72  
[ ]_MMPBSA_rectraj.in.8.md52022-02-16 16:22 32  
[ ]_MMPBSA_rectraj.in.82011-04-01 14:36 72  
[ ]_MMPBSA_rectraj.in.7.md52022-02-16 16:22 32  
[ ]_MMPBSA_rectraj.in.72011-04-01 14:36 72  
[ ]_MMPBSA_rectraj.in.6.md52022-02-16 16:22 32  
[ ]_MMPBSA_rectraj.in.62011-04-01 14:35 72  
[ ]_MMPBSA_rectraj.in.5.md52022-02-16 16:22 32  
[ ]_MMPBSA_rectraj.in.52011-04-01 14:35 72  
[ ]_MMPBSA_rectraj.in.4.md52022-02-16 16:22 32  
[ ]_MMPBSA_rectraj.in.42011-04-01 14:36 72  
[ ]_MMPBSA_rectraj.in.3.md52022-02-16 16:22 32  
[ ]_MMPBSA_rectraj.in.32011-04-01 14:35 71  
[ ]_MMPBSA_rectraj.in.2.md52022-02-16 16:22 32  
[ ]_MMPBSA_rectraj.in.22011-04-01 14:36 70  
[ ]_MMPBSA_rectraj.in.1.md52022-02-16 16:22 32  
[ ]_MMPBSA_rectraj.in.12011-04-01 14:35 70  
[ ]_MMPBSA_rectraj.in.0.md52022-02-16 16:22 32  
[ ]_MMPBSA_rectraj.in.02011-04-01 14:35 69  
[ ]_MMPBSA_rectraj.in2011-04-01 14:35 83  
[ ]_MMPBSA_receptorinpcrd.in.md52022-02-16 16:22 32  
[ ]_MMPBSA_receptorinpcrd.in2011-04-01 14:35 84  
[ ]_MMPBSA_receptor_gb.mdout.md52022-02-16 16:22 32  
[ ]_MMPBSA_receptor_gb.mdout2011-04-01 14:35 355M 
[ ]_MMPBSA_receptor.mdcrd.md52022-02-16 16:22 32  
[ ]_MMPBSA_receptor.mdcrd2011-04-01 14:34 11M 
[ ]_MMPBSA_ptraj6.out.md52022-02-16 16:22 32  
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[ ]_MMPBSA_ptraj3.out.92011-04-01 14:35 19K 
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[ ]_MMPBSA_ptraj3.out.82011-04-01 14:35 19K 
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[ ]_MMPBSA_ptraj3.out.72011-04-01 14:35 19K 
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[ ]_MMPBSA_ptraj3.out.62011-04-01 14:36 19K 
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[ ]_MMPBSA_ptraj3.out.52011-04-01 14:35 19K 
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[ ]_MMPBSA_ptraj3.out.32011-04-01 14:36 19K 
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[ ]_MMPBSA_ptraj3.out.22011-04-01 14:36 19K 
[ ]_MMPBSA_ptraj3.out.1.md52022-02-16 16:22 32  
[ ]_MMPBSA_ptraj3.out.12011-04-01 14:36 19K 
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[ ]_MMPBSA_ptraj3.out.02011-04-01 14:35 19K 
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[ ]_MMPBSA_ptraj2.out.md52022-02-16 16:22 32  
[ ]_MMPBSA_ptraj2.out.19.md52022-02-16 16:22 32  
[ ]_MMPBSA_ptraj2.out.192011-04-01 14:36 4.4K 
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[ ]_MMPBSA_ptraj2.out.182011-04-01 14:35 4.4K 
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[ ]_MMPBSA_ptraj2.out.22011-04-01 14:35 4.4K 
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[ ]_MMPBSA_ptraj2.out.02011-04-01 14:35 4.4K 
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[ ]_MMPBSA_ptraj1.out.md52022-02-16 16:22 32  
[ ]_MMPBSA_ptraj1.out.19.md52022-02-16 16:22 32  
[ ]_MMPBSA_ptraj1.out.192011-04-01 14:36 23K 
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[ ]_MMPBSA_ptraj1.out.182011-04-01 14:36 23K 
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[ ]_MMPBSA_ptraj1.out.172011-04-01 14:35 23K 
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[ ]_MMPBSA_ptraj1.out.162011-04-01 14:35 23K 
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[ ]_MMPBSA_ptraj1.out.152011-04-01 14:35 23K 
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[ ]_MMPBSA_ptraj1.out.142011-04-01 14:36 23K 
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[ ]_MMPBSA_ptraj1.out.132011-04-01 14:35 23K 
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[ ]_MMPBSA_ptraj1.out.122011-04-01 14:36 23K 
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[ ]_MMPBSA_ptraj1.out.112011-04-01 14:36 23K 
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[ ]_MMPBSA_ptraj1.out.102011-04-01 14:35 23K 
[ ]_MMPBSA_ptraj1.out.9.md52022-02-16 16:22 32  
[ ]_MMPBSA_ptraj1.out.92011-04-01 14:36 23K 
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[ ]_MMPBSA_ptraj1.out.82011-04-01 14:35 23K 
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[ ]_MMPBSA_ptraj1.out.72011-04-01 14:35 23K 
[ ]_MMPBSA_ptraj1.out.6.md52022-02-16 16:22 32  
[ ]_MMPBSA_ptraj1.out.62011-04-01 14:36 23K 
[ ]_MMPBSA_ptraj1.out.5.md52022-02-16 16:22 32  
[ ]_MMPBSA_ptraj1.out.52011-04-01 14:36 23K 
[ ]_MMPBSA_ptraj1.out.4.md52022-02-16 16:22 32  
[ ]_MMPBSA_ptraj1.out.42011-04-01 14:36 23K 
[ ]_MMPBSA_ptraj1.out.3.md52022-02-16 16:22 32  
[ ]_MMPBSA_ptraj1.out.32011-04-01 14:35 23K 
[ ]_MMPBSA_ptraj1.out.2.md52022-02-16 16:22 32  
[ ]_MMPBSA_ptraj1.out.22011-04-01 14:35 23K 
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[ ]_MMPBSA_ptraj1.out.12011-04-01 14:35 23K 
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[ ]_MMPBSA_ptraj1.out.02011-04-01 14:35 23K 
[ ]_MMPBSA_ptraj1.out2011-04-01 14:36 24K 
[ ]_MMPBSA_ligtraj.in.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.19.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.192011-04-01 14:36 69  
[ ]_MMPBSA_ligtraj.in.18.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.182011-04-01 14:36 69  
[ ]_MMPBSA_ligtraj.in.17.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.172011-04-01 14:35 69  
[ ]_MMPBSA_ligtraj.in.16.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.162011-04-01 14:36 69  
[ ]_MMPBSA_ligtraj.in.15.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.152011-04-01 14:35 69  
[ ]_MMPBSA_ligtraj.in.14.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.142011-04-01 14:36 69  
[ ]_MMPBSA_ligtraj.in.13.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.132011-04-01 14:35 69  
[ ]_MMPBSA_ligtraj.in.12.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.122011-04-01 14:36 69  
[ ]_MMPBSA_ligtraj.in.11.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.112011-04-01 14:36 69  
[ ]_MMPBSA_ligtraj.in.10.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.102011-04-01 14:35 69  
[ ]_MMPBSA_ligtraj.in.9.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.92011-04-01 14:35 68  
[ ]_MMPBSA_ligtraj.in.8.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.82011-04-01 14:35 68  
[ ]_MMPBSA_ligtraj.in.7.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.72011-04-01 14:36 68  
[ ]_MMPBSA_ligtraj.in.6.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.62011-04-01 14:36 68  
[ ]_MMPBSA_ligtraj.in.5.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.52011-04-01 14:36 68  
[ ]_MMPBSA_ligtraj.in.4.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.42011-04-01 14:35 68  
[ ]_MMPBSA_ligtraj.in.3.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.32011-04-01 14:36 67  
[ ]_MMPBSA_ligtraj.in.2.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.22011-04-01 14:35 66  
[ ]_MMPBSA_ligtraj.in.1.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.12011-04-01 14:35 66  
[ ]_MMPBSA_ligtraj.in.0.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligtraj.in.02011-04-01 14:35 65  
[ ]_MMPBSA_ligtraj.in2011-04-01 14:36 78  
[ ]_MMPBSA_ligandinpcrd.in.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligandinpcrd.in2011-04-01 14:35 80  
[ ]_MMPBSA_ligand_gb.mdout.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligand_gb.mdout2011-04-01 14:35 67M 
[ ]_MMPBSA_ligand.mdcrd.md52022-02-16 16:22 32  
[ ]_MMPBSA_ligand.mdcrd2011-04-01 14:35 121M 
[ ]_MMPBSA_gb_decomp_rec.mdin.md52022-02-16 16:22 32  
[ ]_MMPBSA_gb_decomp_rec.mdin2011-04-01 14:35 283  
[ ]_MMPBSA_gb_decomp_lig.mdin.md52022-02-16 16:22 32  
[ ]_MMPBSA_gb_decomp_lig.mdin2011-04-01 14:35 280  
[ ]_MMPBSA_gb_decomp_com.mdin.md52022-02-16 16:22 32  
[ ]_MMPBSA_gb_decomp_com.mdin2011-04-01 14:35 331  
[ ]_MMPBSA_dummyreceptor.inpcrd.md52022-02-16 16:22 32  
[ ]_MMPBSA_dummyreceptor.inpcrd2011-04-01 14:36 3.8M 
[ ]_MMPBSA_dummyligand.inpcrd.md52022-02-16 16:22 32  
[ ]_MMPBSA_dummyligand.inpcrd2011-04-01 14:36 744K 
[ ]_MMPBSA_dummycomplex.inpcrd.md52022-02-16 16:22 32  
[ ]_MMPBSA_dummycomplex.inpcrd2011-04-01 14:35 4.5M 
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[ ]_MMPBSA_comtraj.in.192011-04-01 14:36 71  
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[ ]_MMPBSA_comtraj.in.182011-04-01 14:35 71  
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[ ]_MMPBSA_comtraj.in.172011-04-01 14:36 71  
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[ ]_MMPBSA_comtraj.in.162011-04-01 14:35 71  
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[ ]_MMPBSA_comtraj.in.152011-04-01 14:36 71  
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[ ]_MMPBSA_comtraj.in.142011-04-01 14:36 71  
[ ]_MMPBSA_comtraj.in.13.md52022-02-16 16:22 32  
[ ]_MMPBSA_comtraj.in.132011-04-01 14:35 71  
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[ ]_MMPBSA_comtraj.in.122011-04-01 14:35 71  
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[ ]_MMPBSA_comtraj.in.112011-04-01 14:36 71  
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[ ]_MMPBSA_comtraj.in.102011-04-01 14:36 71  
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[ ]_MMPBSA_comtraj.in.92011-04-01 14:35 70  
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[ ]_MMPBSA_comtraj.in.82011-04-01 14:35 70  
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[ ]_MMPBSA_comtraj.in.72011-04-01 14:36 70  
[ ]_MMPBSA_comtraj.in.6.md52022-02-16 16:22 32  
[ ]_MMPBSA_comtraj.in.62011-04-01 14:35 70  
[ ]_MMPBSA_comtraj.in.5.md52022-02-16 16:22 32  
[ ]_MMPBSA_comtraj.in.52011-04-01 14:35 70  
[ ]_MMPBSA_comtraj.in.4.md52022-02-16 16:22 32  
[ ]_MMPBSA_comtraj.in.42011-04-01 14:35 70  
[ ]_MMPBSA_comtraj.in.3.md52022-02-16 16:22 32  
[ ]_MMPBSA_comtraj.in.32011-04-01 14:35 69  
[ ]_MMPBSA_comtraj.in.2.md52022-02-16 16:22 32  
[ ]_MMPBSA_comtraj.in.22011-04-01 14:35 68  
[ ]_MMPBSA_comtraj.in.1.md52022-02-16 16:22 32  
[ ]_MMPBSA_comtraj.in.12011-04-01 14:35 68  
[ ]_MMPBSA_comtraj.in.0.md52022-02-16 16:22 32  
[ ]_MMPBSA_comtraj.in.02011-04-01 14:36 67  
[ ]_MMPBSA_complexinpcrd.in.md52022-02-16 16:22 32  
[ ]_MMPBSA_complexinpcrd.in2011-04-01 14:36 79  
[ ]_MMPBSA_complex_gb.mdout.md52022-02-16 16:22 32  
[ ]_MMPBSA_complex_gb.mdout2011-04-01 14:35 420M 
[ ]_MMPBSA_cenptraj.in.md52022-02-16 16:22 32  
[ ]_MMPBSA_cenptraj.in2011-04-01 14:35 298  
[ ]_MMPBSA_avgcomplex.pdb.md52022-02-16 16:22 32  
[ ]_MMPBSA_avgcomplex.pdb2011-04-01 14:36 4.2M 
[ ]MMPBSA.py.md52022-02-16 16:22 32  
[ ]MMPBSA.py.MPI.md52022-02-16 16:22 32  
[TXT]MMPBSA.py.MPI2011-04-01 14:36 71K 
[TXT]MMPBSA.py2011-04-01 14:36 64K 
[ ]FINAL_RESULTS.dat.md52022-02-16 16:22 32  
[ ]FINAL_RESULTS.dat2011-04-01 14:35 4.0K 
[ ]FINAL_DECOMP_MMPBSA.dat.md52022-02-16 16:22 32  
[ ]FINAL_DECOMP_MMPBSA.dat2011-04-01 14:36 5.4M