Index of /10.11582_2022.00013/1XCK/116_1XCK_apo/results/energy_decomp

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory  -  
[ ]_MMPBSA_ligtraj.in.3.md52022-02-16 16:07 32  
[ ]1XCK_sol.prmtop.md52022-02-16 16:07 32  
[ ]_MMPBSA_receptor.mdcrd.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj1.out.4.md52022-02-16 16:07 32  
[ ]nohup.out.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj3.out.0.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj1.out.md52022-02-16 16:07 32  
[ ]_MMPBSA_rectraj.in.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj3.out.4.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj2.out.4.md52022-02-16 16:07 32  
[ ]_MMPBSA_complex.mdcrd.2.md52022-02-16 16:07 32  
[ ]_MMPBSA_receptor_gb.mdout.md52022-02-16 16:07 32  
[ ]_MMPBSA_comtraj.in.2.md52022-02-16 16:07 32  
[ ]_MMPBSA_comtraj.in.5.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligand_gb.mdout.md52022-02-16 16:07 32  
[ ]_MMPBSA_comtraj.in.1.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj3.out.3.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj5.out.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj3.out.5.md52022-02-16 16:07 32  
[ ]_MMPBSA_complex.mdcrd.4.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligand.mdcrd.4.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligtraj.in.5.md52022-02-16 16:07 32  
[ ]_MMPBSA_comtraj.in.4.md52022-02-16 16:07 32  
[ ]_MMPBSA_complex.mdcrd.1.md52022-02-16 16:07 32  
[ ]_MMPBSA_complex.mdcrd.5.md52022-02-16 16:07 32  
[ ]_MMPBSA_receptor.mdcrd.2.md52022-02-16 16:07 32  
[ ]_MMPBSA_comtraj.in.0.md52022-02-16 16:07 32  
[ ]_MMPBSA_rectraj.in.4.md52022-02-16 16:07 32  
[ ]_MMPBSA_dummyligand.inpcrd.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj2.out.5.md52022-02-16 16:07 32  
[ ]_MMPBSA_receptorinpcrd.in.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligand.mdcrd.5.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj2.out.1.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj1.out.0.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligtraj.in.0.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj3.out.2.md52022-02-16 16:07 32  
[ ]_MMPBSA_avgcomplex.pdb.md52022-02-16 16:07 32  
[ ]_MMPBSA_receptor.mdcrd.1.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligtraj.in.2.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligandinpcrd.in.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj1.out.1.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj4.out.md52022-02-16 16:07 32  
[ ]_MMPBSA_receptor.mdcrd.5.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj2.out.3.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligand.mdcrd.0.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligand.mdcrd.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligtraj.in.4.md52022-02-16 16:07 32  
[ ]_MMPBSA_complexinpcrd.in.md52022-02-16 16:07 32  
[ ]mmpbsa_per_res_decomp.in.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj1.out.2.md52022-02-16 16:07 32  
[ ]_MMPBSA_comtraj.in.3.md52022-02-16 16:07 32  
[ ]_MMPBSA_rectraj.in.3.md52022-02-16 16:07 32  
[ ]_MMPBSA_rectraj.in.1.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj2.out.md52022-02-16 16:07 32  
[ ]cis.prmtop.md52022-02-16 16:07 32  
[ ]_MMPBSA_receptor.mdcrd.4.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligand.mdcrd.3.md52022-02-16 16:07 32  
[ ]FINAL_RESULTS.dat.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj6.out.md52022-02-16 16:07 32  
[ ]FINAL_DECOMP_RESULTS.dat.md52022-02-16 16:07 32  
[ ]_MMPBSA_gb.mdin.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj2.out.0.md52022-02-16 16:07 32  
[ ]mmpbsa_1b.in.md52022-02-16 16:07 32  
[ ]_MMPBSA_rectraj.in.0.md52022-02-16 16:07 32  
[ ]_MMPBSA_dummyreceptor.inpcrd.md52022-02-16 16:07 32  
[ ]trans.prmtop.md52022-02-16 16:07 32  
[ ]_MMPBSA_complex.mdcrd.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligtraj.in.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj2.out.2.md52022-02-16 16:07 32  
[ ]_MMPBSA_complex.mdcrd.3.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligand.mdcrd.1.md52022-02-16 16:07 32  
[ ]_MMPBSA_cenptraj.in.md52022-02-16 16:07 32  
[ ]_MMPBSA_rectraj.in.2.md52022-02-16 16:07 32  
[ ]_MMPBSA_receptor.mdcrd.0.md52022-02-16 16:07 32  
[ ]_MMPBSA_dummycomplex.inpcrd.md52022-02-16 16:07 32  
[ ]restrt.md52022-02-16 16:07 32  
[ ]_MMPBSA_complex.mdcrd.0.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj1.out.5.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligand.mdcrd.2.md52022-02-16 16:07 32  
[ ]_MMPBSA_complex_gb.mdout.md52022-02-16 16:07 32  
[ ]README.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj3.out.1.md52022-02-16 16:07 32  
[ ]_MMPBSA_ligtraj.in.1.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj1.out.3.md52022-02-16 16:07 32  
[ ]_MMPBSA_ptraj3.out.md52022-02-16 16:07 32  
[ ]_MMPBSA_rectraj.in.5.md52022-02-16 16:07 32  
[ ]1XCK_apo_noWAT.prmtop.md52022-02-16 16:07 32  
[ ]_MMPBSA_receptor.mdcrd.3.md52022-02-16 16:07 32  
[ ]nohup.out2010-09-16 21:45 4.4K 
[ ]_MMPBSA_receptor_gb.mdout2010-09-16 21:45 45K 
[ ]_MMPBSA_ligand_gb.mdout2010-09-16 21:45 45K 
[ ]FINAL_RESULTS.dat2010-09-16 21:45 3.9K 
[ ]_MMPBSA_complex_gb.mdout2010-09-16 21:45 45K 
[ ]restrt2010-09-16 21:45 3.8M 
[ ]_MMPBSA_ptraj6.out2010-09-16 19:12 19K 
[ ]_MMPBSA_dummyligand.inpcrd2010-09-16 19:12 3.8M 
[ ]_MMPBSA_ptraj5.out2010-09-16 19:12 19K 
[ ]_MMPBSA_dummyreceptor.inpcrd2010-09-16 19:12 3.8M 
[ ]_MMPBSA_ptraj4.out2010-09-16 19:12 38K 
[ ]_MMPBSA_dummycomplex.inpcrd2010-09-16 19:12 7.6M 
[ ]_MMPBSA_receptor.mdcrd.42010-09-16 19:12 2.5M 
[ ]_MMPBSA_receptor.mdcrd.32010-09-16 19:12 2.5M 
[ ]_MMPBSA_receptor.mdcrd.22010-09-16 19:12 2.5M 
[ ]_MMPBSA_receptor.mdcrd.12010-09-16 19:12 2.5M 
[ ]_MMPBSA_ptraj3.out.42010-09-16 19:12 19K 
[ ]_MMPBSA_ptraj3.out.32010-09-16 19:12 19K 
[ ]_MMPBSA_ptraj3.out.22010-09-16 19:12 19K 
[ ]_MMPBSA_ptraj3.out.12010-09-16 19:12 19K 
[ ]_MMPBSA_receptor.mdcrd.52010-09-16 19:12 1.3M 
[ ]_MMPBSA_receptor.mdcrd.02010-09-16 19:12 2.5M 
[ ]_MMPBSA_ptraj3.out.52010-09-16 19:12 19K 
[ ]_MMPBSA_ptraj3.out.02010-09-16 19:12 19K 
[ ]_MMPBSA_ptraj2.out.42010-09-16 19:12 19K 
[ ]_MMPBSA_ptraj2.out.32010-09-16 19:12 19K 
[ ]_MMPBSA_ptraj2.out.22010-09-16 19:12 19K 
[ ]_MMPBSA_ptraj2.out.12010-09-16 19:12 19K 
[ ]_MMPBSA_ligand.mdcrd.42010-09-16 19:12 2.5M 
[ ]_MMPBSA_ligand.mdcrd.32010-09-16 19:12 2.5M 
[ ]_MMPBSA_ligand.mdcrd.22010-09-16 19:12 2.5M 
[ ]_MMPBSA_ligand.mdcrd.12010-09-16 19:12 2.5M 
[ ]_MMPBSA_ptraj2.out.52010-09-16 19:12 19K 
[ ]_MMPBSA_ptraj2.out.02010-09-16 19:12 19K 
[ ]_MMPBSA_ligand.mdcrd.52010-09-16 19:12 1.3M 
[ ]_MMPBSA_ligand.mdcrd.02010-09-16 19:12 2.5M 
[ ]_MMPBSA_ptraj1.out.32010-09-16 19:12 38K 
[ ]_MMPBSA_ptraj1.out.22010-09-16 19:12 38K 
[ ]_MMPBSA_ptraj1.out.12010-09-16 19:12 38K 
[ ]_MMPBSA_ptraj1.out.02010-09-16 19:12 38K 
[ ]_MMPBSA_complex.mdcrd.22010-09-16 19:12 5.1M 
[ ]_MMPBSA_complex.mdcrd.12010-09-16 19:12 5.1M 
[ ]_MMPBSA_complex.mdcrd.02010-09-16 19:12 5.1M 
[ ]_MMPBSA_ptraj1.out.52010-09-16 19:12 38K 
[ ]_MMPBSA_ptraj1.out.42010-09-16 19:12 38K 
[ ]_MMPBSA_complex.mdcrd.52010-09-16 19:12 2.5M 
[ ]_MMPBSA_complex.mdcrd.42010-09-16 19:12 5.1M 
[ ]_MMPBSA_complex.mdcrd.32010-09-16 19:12 5.1M 
[ ]_MMPBSA_rectraj.in.52010-09-16 19:12 70  
[ ]_MMPBSA_rectraj.in.42010-09-16 19:12 69  
[ ]_MMPBSA_rectraj.in.32010-09-16 19:12 68  
[ ]_MMPBSA_rectraj.in.22010-09-16 19:12 68  
[ ]_MMPBSA_rectraj.in.12010-09-16 19:12 68  
[ ]_MMPBSA_rectraj.in.02010-09-16 19:12 68  
[ ]_MMPBSA_ligtraj.in.52010-09-16 19:12 66  
[ ]_MMPBSA_ligtraj.in.42010-09-16 19:12 65  
[ ]_MMPBSA_ligtraj.in.32010-09-16 19:12 64  
[ ]_MMPBSA_ligtraj.in.22010-09-16 19:12 64  
[ ]_MMPBSA_ligtraj.in.12010-09-16 19:12 64  
[ ]_MMPBSA_ligtraj.in.02010-09-16 19:12 64  
[ ]_MMPBSA_receptor.mdcrd2010-09-16 19:12 14M 
[ ]_MMPBSA_ptraj3.out2010-09-16 19:12 38K 
[ ]_MMPBSA_comtraj.in.52010-09-16 19:12 68  
[ ]_MMPBSA_comtraj.in.42010-09-16 19:12 67  
[ ]_MMPBSA_comtraj.in.32010-09-16 19:12 66  
[ ]_MMPBSA_comtraj.in.22010-09-16 19:12 66  
[ ]_MMPBSA_comtraj.in.12010-09-16 19:12 66  
[ ]_MMPBSA_comtraj.in.02010-09-16 19:12 66  
[ ]_MMPBSA_ptraj2.out2010-09-16 19:12 38K 
[ ]_MMPBSA_ligand.mdcrd2010-09-16 19:12 14M 
[ ]_MMPBSA_ptraj1.out2010-09-16 19:12 39K 
[ ]_MMPBSA_avgcomplex.pdb2010-09-16 19:12 7.0M 
[ ]_MMPBSA_complex.mdcrd2010-09-16 19:11 28M 
[ ]_MMPBSA_rectraj.in2010-09-16 19:06 83  
[ ]_MMPBSA_receptorinpcrd.in2010-09-16 19:06 84  
[ ]_MMPBSA_ligandinpcrd.in2010-09-16 19:06 80  
[ ]_MMPBSA_complexinpcrd.in2010-09-16 19:06 79  
[ ]_MMPBSA_ligtraj.in2010-09-16 19:06 78  
[ ]_MMPBSA_cenptraj.in2010-09-16 19:06 282  
[ ]_MMPBSA_gb.mdin2010-09-16 19:06 187  
[ ]mmpbsa_1b.in2010-09-16 18:44 117  
[ ]FINAL_DECOMP_RESULTS.dat2010-09-03 11:17 17K 
[ ]README2010-09-02 23:26 213  
[ ]mmpbsa_per_res_decomp.in2010-09-02 23:12 182  
[ ]trans.prmtop2010-08-24 21:31 20M 
[ ]cis.prmtop2010-08-24 21:30 20M 
[ ]1XCK_apo_noWAT.prmtop2009-09-08 21:21 41M 
[ ]1XCK_sol.prmtop2008-04-03 14:56 132M