Revision 2955 - Directory Listing - [select for diffs]
Modified Wed Jul 19 12:46:20 2006 UTC (17 years, 11 months ago) by chrisfen
Diff to previous 2777

Added tred to sample water.md files

Added TIP5P-E and fixed a bug for Thermodynamic integration (you can now have a lambda of 0)

Revision 2727 - Directory Listing - [select for diffs]
Modified Fri Apr 21 19:32:07 2006 UTC (18 years, 2 months ago) by chrisfen
Diff to previous 2489

Removed sqrt splines and shape stuff (doesn't work, so why was it in there?).  Changed some of the water samples to use shifted_force.  Probably should set the defaults to use the damped version now that we sped it up.

remove deprecated keywords from samples

Revision 2397 - Directory Listing - [select for diffs]
Modified Wed Oct 26 23:30:52 2005 UTC (18 years, 8 months ago) by chrisfen
Diff to previous 2393

added a test molecule

minor changes when testing reaction field

Revision 2389 - Directory Listing - [select for diffs]
Modified Wed Oct 19 19:23:38 2005 UTC (18 years, 8 months ago) by chrisfen
Diff to previous 2349

nothing

fixing up the samples

Revision 2324 - Directory Listing - [select for diffs]
Modified Sat Sep 24 17:38:10 2005 UTC (18 years, 9 months ago) by chrisfen
Diff to previous 2311

turned rf on

fixed up some sample md files

Revision 2310 - Directory Listing - [select for diffs]
Modified Mon Sep 19 23:21:46 2005 UTC (18 years, 9 months ago) by chrisfen
Diff to previous 2309

Fixed bugs in reaction field, now it appears as though it really is working...

reaction field seems to work now, still need to do some testing...

Revision 2216 - Directory Listing - [select for diffs]
Modified Fri Apr 29 16:26:27 2005 UTC (19 years, 2 months ago) by chrisfen
Diff to previous 2200

Added TIP4P-Ew

some samples are not installed correctly

Revision 2059 - Directory Listing - [select for diffs]
Added Tue Feb 22 19:26:05 2005 UTC (19 years, 4 months ago) by chrisfen

Added ssdrf sample