Revision 2955 - Directory Listing - [selected]
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 , to selected 2955

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 , to selected 2955

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 , to selected 2955

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 , to selected 2955

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 , to selected 2955

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 , to selected 2955

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
Diff to selected 2955

Added ssdrf sample