[ViewVC] Log of: OpenMD/branches/development/forceFields/Amber.frc

Revision 1701 - (view) (annotate) - [select for diffs]
Modified Thu Apr 5 19:37:58 2012 UTC (13 years, 7 months ago) by kstocke1
File length: 101051 byte(s)
Diff to previous 1465 , to selected 1418

Added files for fcc and pentagonal nanorod builders. Updated runMe in samples/builders to include nanorod builders.

Revision 1465 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (15 years, 4 months ago) by chuckv
File length: 101046 byte(s)
Diff to previous 1418

Creating busticated version of OpenMD

Revision 1418 - (view) (annotate) - [selected]
Modified Thu Mar 25 20:44:11 2010 UTC (15 years, 8 months ago) by gezelter
Original Path: trunk/forceFields/Amber.frc
File length: 101046 byte(s)
Diff to previous 1414

new params

Revision 1414 - (view) (annotate) - [select for diffs]
Modified Thu Mar 25 19:24:53 2010 UTC (15 years, 8 months ago) by gezelter
Original Path: trunk/forceFields/Amber.frc
File length: 101005 byte(s)
Diff to previous 1363 , to selected 1418

Added some missing bend and torsion types

Revision 1363 - (view) (annotate) - [select for diffs]
Modified Tue Sep 8 19:12:52 2009 UTC (16 years, 2 months ago) by gezelter
Original Path: trunk/forceFields/Amber.frc
File length: 100872 byte(s)
Diff to previous 1289 , to selected 1418

Adding alternate water models to Amber parameters.  The approved model
for Amber is still TIP3P, but if you want reasonable water dynamics,
you need SPC/E.  OOPSE/OpenMD will now give you the choice.

Revision 1289 - (view) (annotate) - [select for diffs]
Modified Wed Sep 10 19:40:06 2008 UTC (17 years, 2 months ago) by cli2
Original Path: trunk/forceFields/Amber.frc
File length: 100000 byte(s)
Diff to previous 1278 , to selected 1418

Fixes for Torsions and Inversions, Amber is mostly working now.

Revision 1278 - (view) (annotate) - [select for diffs]
Modified Mon Jul 14 12:36:39 2008 UTC (17 years, 4 months ago) by gezelter
Original Path: trunk/forceFields/Amber.frc
File length: 101044 byte(s)
Diff to previous 1270 , to selected 1418

fixed some incorrect types

Revision 1270 - (view) (annotate) - [select for diffs]
Added Tue Jul 1 13:29:02 2008 UTC (17 years, 4 months ago) by gezelter
Original Path: trunk/forceFields/Amber.frc
File length: 100702 byte(s)
Diff to selected 1418

Adding infrastructure for Amber force field

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