Creating busticated version of OpenMD

Revision 1418 - (view) (annotate) - [select for diffs]
Modified Thu Mar 25 20:44:11 2010 UTC (15 years, 7 months ago) by gezelter
Original Path: trunk/forceFields/Amber.frc
File length: 101046 byte(s)
Diff to previous 1414 , to selected 1278

new params

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, 1 month ago) by gezelter
Original Path: trunk/forceFields/Amber.frc
File length: 100872 byte(s)
Diff to previous 1289 , to selected 1278

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.

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

Revision 1278 - (view) (annotate) - [selected]
Modified Mon Jul 14 12:36:39 2008 UTC (17 years, 3 months ago) by gezelter
Original Path: trunk/forceFields/Amber.frc
File length: 101044 byte(s)
Diff to previous 1270

fixed some incorrect types

Adding infrastructure for Amber force field