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

Revision 2063 - (view) (annotate) - [select for diffs]
Modified Tue Mar 3 16:45:34 2015 UTC (10 years, 6 months ago) by gezelter
File length: 101264 byte(s)
Diff to previous 2046 , to selected 1270

Fixed a force field atom problem

Revision 2046 - (view) (annotate) - [select for diffs]
Modified Tue Dec 2 22:11:04 2014 UTC (10 years, 9 months ago) by gezelter
File length: 101262 byte(s)
Diff to previous 1782 , to selected 1270

Fixed some broken comments for use with Doxygen.
Made changes to allow topology-based force-field overrides in include files.
Fixed a calculation of box quadrupole moments for molecules with point dipoles.

Revision 1782 - (view) (annotate) - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (13 years ago) by gezelter
File length: 101123 byte(s)
Diff to previous 1563 , to selected 1270

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1563 - (view) (annotate) - [select for diffs]
Modified Wed May 18 19:27:54 2011 UTC (14 years, 4 months ago) by gezelter
File length: 101118 byte(s)
Diff to previous 1526 , to selected 1270

Matched default Charges for OH and HO (Hydroxyl) to the values from
OPLS paper.

Revision 1526 - (view) (annotate) - [select for diffs]
Modified Wed Nov 24 17:40:12 2010 UTC (14 years, 9 months ago) by kstocke1
File length: 101119 byte(s)
Diff to previous 1418 , to selected 1270

Completed SMIPD to Langevin Hull integrator name change

Revision 1418 - (view) (annotate) - [select for diffs]
Modified Thu Mar 25 20:44:11 2010 UTC (15 years, 5 months ago) by gezelter
File length: 101046 byte(s)
Diff to previous 1414 , to selected 1270

new params

Revision 1414 - (view) (annotate) - [select for diffs]
Modified Thu Mar 25 19:24:53 2010 UTC (15 years, 5 months ago) by gezelter
File length: 101005 byte(s)
Diff to previous 1363 , to selected 1270

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 ago) by gezelter
File length: 100872 byte(s)
Diff to previous 1289 , to selected 1270

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 ago) by cli2
File length: 100000 byte(s)
Diff to previous 1278 , to selected 1270

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, 2 months ago) by gezelter
File length: 101044 byte(s)
Diff to previous 1270

fixed some incorrect types

Revision 1270 - (view) (annotate) - [selected]
Added Tue Jul 1 13:29:02 2008 UTC (17 years, 2 months ago) by gezelter
File length: 100702 byte(s)

Adding infrastructure for Amber force field

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