Index of /cvmfsmonitor/repository/wenmr.egi.eu/CIRMMP/amber/10/64/examples/pbsa-delphi

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory   -  
[TXT]0README 2007-10-31 16:52 4.5K 
[ ]1az6_0.p22.pb1.out 2007-11-01 00:32 93K 
[ ]1az6_0.p22.pb2.out 2007-11-01 00:32 93K 
[ ]1az6_0.p22.pb3.out 2007-11-01 00:32 93K 
[ ]1az6_0.p22.pb4.out 2007-11-01 00:32 93K 
[ ]1az6_0.p22.pb5.out 2007-11-01 00:32 93K 
[ ]1az6_0.p22.pb6.out 2007-11-01 00:32 93K 
[ ]1az6_0.p22.pb7.out 2007-11-01 00:32 93K 
[ ]1az6_0.p22.pb8.out 2007-11-01 00:32 29K 
[TXT]3chb_D.delphi-new.out 2007-11-01 01:08 7.8K 
[TXT]3chb_D.p22.delphi.out 2007-11-01 00:21 7.1K 
[ ]3chb_D.p22.delphi.pqr 2007-10-31 17:55 130K 
[ ]3chb_D.p22.inpcrd 2007-10-31 16:54 59K 
[ ]3chb_D.p22.min.out 2007-11-01 00:24 8.6K 
[ ]3chb_D.p22.mincrd 2007-10-31 17:02 59K 
[ ]3chb_D.p22.parm 2007-11-01 01:08 596K 
[ ]3chb_D.p22.pb.out 2007-11-01 00:35 285K 
[ ]3chb_D.p22.pdb 2007-11-01 01:16 127K 
[TXT]3crd_0.p22.delphi.out 2007-11-01 00:21 7.2K 
[ ]3crd_0.p22.delphi.pqr 2007-10-31 17:55 130K 
[ ]3crd_0.p22.inpcrd 2007-10-31 16:54 58K 
[ ]3crd_0.p22.min.out 2007-11-01 00:24 8.6K 
[ ]3crd_0.p22.mincrd 2007-10-31 17:02 58K 
[ ]3crd_0.p22.parm 2007-11-01 01:08 593K 
[ ]3crd_0.p22.pb.out 2007-11-01 00:35 284K 
[ ]3crd_0.p22.pdb 2007-11-01 01:16 126K 
[TXT]3lri_A.p22.delphi.out 2007-11-01 00:21 7.2K 
[ ]3lri_A.p22.delphi.pqr 2007-10-31 17:55 100K 
[ ]3lri_A.p22.inpcrd 2007-10-31 16:54 45K 
[ ]3lri_A.p22.min.out 2007-11-01 00:24 8.6K 
[ ]3lri_A.p22.mincrd 2007-10-31 17:02 45K 
[ ]3lri_A.p22.parm 2007-11-01 01:08 456K 
[ ]3lri_A.p22.pb.out 2007-11-01 00:35 221K 
[ ]3lri_A.p22.pdb 2007-11-01 01:16 97K 
[TXT]3msp_A.p22.delphi.out 2007-11-01 00:21 7.2K 
[ ]3msp_A.p22.delphi.pqr 2007-10-31 17:55 158K 
[ ]3msp_A.p22.inpcrd 2007-10-31 16:54 71K 
[ ]3msp_A.p22.min.out 2007-11-01 00:24 8.6K 
[ ]3msp_A.p22.mincrd 2007-10-31 17:02 71K 
[ ]3msp_A.p22.parm 2007-11-01 01:08 721K 
[ ]3msp_A.p22.pb.out 2007-11-01 00:35 343K 
[ ]3msp_A.p22.pdb 2007-11-01 01:16 154K 
[TXT]3phy_0.p22.delphi.out 2007-11-01 00:21 7.2K 
[ ]3phy_0.p22.delphi.pqr 2007-10-31 17:55 152K 
[ ]3phy_0.p22.inpcrd 2007-10-31 16:54 68K 
[ ]3phy_0.p22.min.out 2007-11-01 00:24 8.6K 
[ ]3phy_0.p22.mincrd 2007-10-31 17:02 68K 
[ ]3phy_0.p22.parm 2007-11-01 01:08 690K 
[ ]3phy_0.p22.pb.out 2007-11-01 00:35 330K 
[ ]3phy_0.p22.pdb 2007-11-01 01:16 148K 
[TXT]3rpb_A.p22.delphi.out 2007-11-01 00:21 7.2K 
[ ]3rpb_A.p22.delphi.pqr 2007-10-31 17:55 182K 
[ ]3rpb_A.p22.inpcrd 2007-10-31 16:54 82K 
[ ]3rpb_A.p22.min.out 2007-11-01 00:24 8.6K 
[ ]3rpb_A.p22.mincrd 2007-10-31 17:02 82K 
[ ]3rpb_A.p22.parm 2007-11-01 01:08 832K 
[ ]3rpb_A.p22.pb.out 2007-11-01 00:35 394K 
[ ]3rpb_A.p22.pdb 2007-11-01 01:16 178K 
[TXT]3sil_0.delphi-new.out 2007-11-01 01:08 7.3K 
[TXT]3sil_0.p22.delphi.out 2007-11-01 00:21 7.2K 
[ ]3sil_0.p22.delphi.pqr 2007-10-31 17:55 459K 
[ ]3sil_0.p22.inpcrd 2007-10-31 16:54 207K 
[ ]3sil_0.p22.min.out 2007-11-01 00:24 8.6K 
[ ]3sil_0.p22.mincrd 2007-10-31 17:02 207K 
[ ]3sil_0.p22.parm 2007-11-01 01:08 2.0M 
[ ]3sil_0.p22.pb.out 2007-11-01 00:35 1.0M 
[ ]3sil_0.p22.pdb 2007-11-01 01:16 448K 
[TXT]3vub_0.delphi-new.out 2007-11-01 01:08 7.3K 
[TXT]3vub_0.p22.delphi.out 2007-11-01 00:21 7.2K 
[ ]3vub_0.p22.delphi.pqr 2007-10-31 17:55 131K 
[ ]3vub_0.p22.inpcrd 2007-10-31 16:54 59K 
[ ]3vub_0.p22.min.out 2007-11-01 00:24 8.6K 
[ ]3vub_0.p22.mincrd 2007-10-31 17:02 59K 
[ ]3vub_0.p22.parm 2007-11-01 01:08 596K 
[ ]3vub_0.p22.pb.out 2007-11-01 00:35 286K 
[ ]3vub_0.p22.pdb 2007-11-01 01:16 127K 
[TXT]3znf_0.delphi-new1.out 2007-11-01 01:08 7.7K 
[TXT]3znf_0.p22.delphi.out 2007-11-01 00:21 7.2K 
[ ]3znf_0.p22.delphi.pqr 2007-10-31 17:55 40K 
[ ]3znf_0.p22.inpcrd 2007-10-31 16:54 18K 
[ ]3znf_0.p22.min.out 2007-11-01 00:24 8.6K 
[ ]3znf_0.p22.mincrd 2007-10-31 17:02 18K 
[ ]3znf_0.p22.parm 2007-11-01 01:08 195K 
[ ]3znf_0.p22.pb.out 2007-11-01 00:35 96K 
[ ]3znf_0.p22.pdb 2007-11-01 01:16 39K 
[TXT]4eug_A.p22.delphi.out 2007-11-01 00:21 7.2K 
[ ]4eug_A.p22.delphi.pqr 2007-10-31 17:55 281K 
[ ]4eug_A.p22.inpcrd 2007-10-31 16:54 127K 
[ ]4eug_A.p22.min.out 2007-11-01 00:24 8.6K 
[ ]4eug_A.p22.mincrd 2007-10-31 17:02 127K 
[ ]4eug_A.p22.parm 2007-11-01 01:08 1.2M 
[ ]4eug_A.p22.pb.out 2007-11-01 00:35 602K 
[ ]4eug_A.p22.pdb 2007-11-01 01:16 274K 
[TXT]4ull_0.delphi-new.out 2007-11-01 01:08 7.3K 
[TXT]4ull_0.p22.delphi.out 2007-11-01 00:21 7.2K 
[ ]4ull_0.p22.delphi.pqr 2007-10-31 17:55 85K 
[ ]4ull_0.p22.inpcrd 2007-10-31 16:54 38K 
[ ]4ull_0.p22.min.out 2007-11-01 00:24 8.6K 
[ ]4ull_0.p22.mincrd 2007-10-31 17:02 38K 
[ ]4ull_0.p22.parm 2007-11-01 01:08 393K 
[ ]4ull_0.p22.pb.out 2007-11-01 00:35 190K 
[ ]4ull_0.p22.pdb 2007-11-01 01:16 83K 
[TXT]5gcn_A.p22.delphi.out 2007-11-01 00:21 7.2K 
[ ]5gcn_A.p22.delphi.pqr 2007-10-31 17:55 221K 
[ ]5gcn_A.p22.inpcrd 2007-10-31 16:54 99K 
[ ]5gcn_A.p22.min.out 2007-11-01 00:24 8.6K 
[ ]5gcn_A.p22.mincrd 2007-10-31 17:02 99K 
[ ]5gcn_A.p22.parm 2007-11-01 01:08 1.0M 
[ ]5gcn_A.p22.pb.out 2007-11-01 00:35 475K 
[ ]5gcn_A.p22.pdb 2007-11-01 01:16 215K 
[TXT]7a3h_A.p22.delphi.out 2007-11-01 00:21 7.2K 
[ ]7a3h_A.p22.delphi.pqr 2007-10-31 17:55 362K 
[ ]7a3h_A.p22.inpcrd 2007-10-31 16:54 163K 
[ ]7a3h_A.p22.min.out 2007-11-01 00:24 8.6K 
[ ]7a3h_A.p22.mincrd 2007-10-31 17:02 163K 
[ ]7a3h_A.p22.parm 2007-11-01 01:08 1.6M 
[ ]7a3h_A.p22.pb.out 2007-11-01 00:35 772K 
[ ]7a3h_A.p22.pdb 2007-11-01 01:16 353K 
[TXT]A_DNAaa.xy2.delphi.out 2007-11-01 00:21 7.3K 
[ ]A_DNAaa.xy2.delphi.pqr 2007-10-31 17:55 50K 
[ ]A_DNAaa.xy2.inpcrd 2007-10-31 16:54 23K 
[ ]A_DNAaa.xy2.min.out 2007-11-01 00:24 8.6K 
[ ]A_DNAaa.xy2.mincrd 2007-10-31 17:02 23K 
[ ]A_DNAaa.xy2.parm 2007-11-01 01:08 258K 
[ ]A_DNAaa.xy2.pb.out 2007-11-01 00:35 117K 
[ ]A_DNAaa.xy2.pdb 2007-11-01 01:16 49K 
[TXT]B_DNAaa.delphi.out 2007-11-01 00:21 7.3K 
[ ]B_DNAaa.delphi.pqr 2007-10-31 17:55 50K 
[ ]B_DNAaa.inpcrd 2007-10-31 16:54 23K 
[ ]B_DNAaa.min.out 2007-11-01 00:24 8.6K 
[ ]B_DNAaa.mincrd 2007-10-31 17:02 23K 
[ ]B_DNAaa.parm 2007-11-01 01:08 258K 
[ ]B_DNAaa.pb.out 2007-11-01 00:35 117K 
[ ]B_DNAaa.pdb 2007-11-01 01:16 49K 
[TXT]beta.bondi.delphi.out 2007-11-01 00:21 7.2K 
[ ]beta.bondi.delphi.pqr 2007-10-31 17:55 20K 
[ ]beta.bondi.inpcrd 2007-10-31 16:54 8.8K 
[ ]beta.bondi.min.out 2007-11-01 00:24 8.6K 
[ ]beta.bondi.mincrd 2007-10-31 17:02 8.8K 
[ ]beta.bondi.parm 2007-11-01 01:08 100K 
[ ]beta.bondi.pb.out 2007-11-01 00:35 53K 
[ ]beta.bondi.pdb 2007-11-01 01:16 19K 
[ ]convergence-grid.pdf 2007-10-31 16:54 11K 
[ ]delphi-ene.csh 2007-10-31 16:54 252  
[ ]delphi-new.csh 2007-10-31 16:54 178  
[ ]delphi-new1.csh 2007-10-31 16:54 179  
[ ]delphi.csh 2007-10-31 16:54 189  
[ ]delphi.in 2007-10-31 16:54 198  
[ ]gentop.csh 2007-10-31 16:54 227  
[ ]header 2007-10-31 16:54 129  
[TXT]lyso.delphi.out 2007-11-01 00:21 7.2K 
[ ]lyso.delphi.pqr 2007-10-31 17:55 156K 
[ ]lyso.inpcrd 2007-10-31 16:54 70K 
[ ]lyso.min.out 2007-11-01 00:24 8.6K 
[ ]lyso.mincrd 2007-10-31 17:02 70K 
[ ]lyso.parm 2007-11-01 01:08 706K 
[ ]lyso.pb.out 2007-11-01 00:35 339K 
[ ]lyso.pdb 2007-11-01 01:16 152K 
[ ]min.in 2007-10-31 16:54 181  
[TXT]myo_new.delphi-new.out 2007-11-01 01:08 7.9K 
[ ]myo_new.delphi.pqr 2007-10-31 17:55 194K 
[ ]myo_new.inpcrd 2007-10-31 16:54 87K 
[ ]myo_new.min.out 2007-11-01 00:24 8.6K 
[ ]myo_new.mincrd 2007-10-31 17:02 87K 
[ ]myo_new.parm 2007-11-01 01:08 884K 
[ ]myo_new.pb.out 2007-11-01 00:35 419K 
[ ]myo_new.pdb 2007-11-01 01:16 189K 
[ ]pbsa.csh 2007-10-31 16:54 283  
[ ]pbsa.in 2007-10-31 16:54 267  
[ ]pdb2pqr.csh 2007-10-31 16:54 597  
[DIR]pqrs/ 2008-04-16 00:01 -  
[ ]ptraj.in 2007-10-31 16:54 51  
[ ]round1.diff 2007-10-31 16:54 26K 
[ ]round2.diff 2007-10-31 16:54 5.4K 
[ ]round3.diff 2007-10-31 16:54 523  
[TXT]trxox.bondi.delphi.out 2007-11-01 00:21 7.2K 
[ ]trxox.bondi.delphi.pqr 2007-10-31 17:55 131K 
[ ]trxox.bondi.inpcrd 2007-10-31 16:54 59K 
[ ]trxox.bondi.min.out 2007-11-01 00:24 8.6K 
[ ]trxox.bondi.mincrd 2007-10-31 17:02 59K 
[ ]trxox.bondi.parm 2007-11-01 01:08 602K 
[ ]trxox.bondi.pb.out 2007-11-01 00:35 287K 
[ ]trxox.bondi.pdb 2007-11-01 01:16 128K