Index of /~legacy.akohlmey/cpmd-tutor/reference/04-gly

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory   -  
[TXT]1-gly-opt.inp 2005-01-05 15:54 1.1K 
[TXT]1-gly-opt.out 2005-01-05 16:15 33K 
[ ]1-gly-opt.xyz 2005-01-05 16:15 852  
[ ]2-gly-md-equilib.dat 2005-01-05 18:39 47K 
[ ]2-gly-md-equilib.inp 2005-01-05 18:37 1.1K 
[TXT]2-gly-md-equilib.out 2005-01-05 18:39 64K 
[ ]2-gly-md-equilib.vmd 2005-01-05 17:15 1.5K 
[ ]2-gly-md-equilib.xyz 2005-01-05 18:38 20K 
[ ]3-gly-md-cont.dat 2005-01-05 18:47 2.8K 
[ ]3-gly-md-cont.inp 2005-01-05 15:40 1.0K 
[TXT]3-gly-md-cont.out 2005-01-05 18:47 28K 
[ ]3-gly-md-cont.xyz 2005-01-05 18:46 952  
[ ]4-gly-md-nvt.dat 2005-01-05 18:53 1.8K 
[ ]4-gly-md-nvt.inp 2005-01-05 15:40 1.1K 
[TXT]4-gly-md-nvt.out 2005-01-05 18:53 28K 
[ ]4-gly-md-nvt.xyz 2005-01-05 18:51 476  
[ ]5-gly-md-rotcor.dat 2005-01-05 19:03 3.5K 
[TXT]5-gly-md-rotcor.inp 2005-01-05 15:40 1.2K 
[TXT]5-gly-md-rotcor.out 2005-01-05 19:03 29K 
[ ]5-gly-md-rotcor.xyz 2005-01-05 19:02 1.4K 
[ ]C_VDB_BLYP.psp 2025-05-07 22:08 230K 
[ ]GEOMETRY.xyz 2005-01-05 19:03 1.3K 
[ ]H_VDB_BLYP.psp 2025-05-07 22:08 84K 
[TXT]NOTES 2005-01-05 15:41 527  
[ ]N_VDB_BLYP.psp 2025-05-07 22:08 233K 
[ ]O_VDB_BLYP.psp 2025-05-07 22:08 236K 
[ ]runme.out 2005-01-05 19:03 681  
[ ]runme.sh 2005-01-05 19:04 1.1K