Revision 2585 - (view) (annotate) - [select for diffs]
Modified Wed Feb 8 18:21:40 2006 UTC (18 years, 4 months ago) by chrisfen
File length: 11695 byte(s)
Diff to previous 2396

added DPD molecule type parameters

added a test atom type

Revision 2383 - (view) (annotate) - [select for diffs]
Modified Tue Oct 18 21:13:21 2005 UTC (18 years, 8 months ago) by gezelter
File length: 11490 byte(s)
Diff to previous 2382

Fixing GB parameters

Changed the parameters for the Gay-Berne type

Revision 2367 - (view) (annotate) - [select for diffs]
Modified Fri Oct 14 15:44:37 2005 UTC (18 years, 8 months ago) by kdaily
File length: 11520 byte(s)
Diff to previous 2359

Add parts for the GayBerne LJ

Messing with 2-point water models

Revision 2333 - (view) (annotate) - [select for diffs]
Modified Wed Sep 28 16:32:21 2005 UTC (18 years, 9 months ago) by gezelter
File length: 11268 byte(s)
Diff to previous 2292

Added DIP atom types for 2-point water model

re-added Cl- and Na+

Revision 2247 - (view) (annotate) - [select for diffs]
Modified Sun May 29 21:14:38 2005 UTC (19 years, 1 month ago) by chrisfen
File length: 11045 byte(s)
Diff to previous 2232

Re-entered the TIP4P-Ew water model. It was apparently wiped earlier this month...

just some tap changes

Revision 2229 - (view) (annotate) - [select for diffs]
Modified Tue May 17 22:35:01 2005 UTC (19 years, 1 month ago) by chrisfen
File length: 10934 byte(s)
Diff to previous 2226

Modifications to tap.  Also correcting changes to the previous merge that were not caught

added gb

Revision 2225 - (view) (annotate) - [select for diffs]
Modified Fri May 13 20:36:15 2005 UTC (19 years, 1 month ago) by chrisfen
File length: 10904 byte(s)
Diff to previous 2224

Better tap

Couple of changes for TAP water.  Need to parametrize.

Revision 2221 - (view) (annotate) - [select for diffs]
Modified Thu May 5 15:06:04 2005 UTC (19 years, 1 month ago) by chrisfen
File length: 10905 byte(s)
Diff to previous 2220

Changed SHED to TAP

OOPSE setup for TAP water.  It's not parametrized, but OOPSE will now let me run it...

Revision 2216 - (view) (annotate) - [select for diffs]
Modified Fri Apr 29 16:26:27 2005 UTC (19 years, 2 months ago) by chrisfen
File length: 10628 byte(s)
Diff to previous 2161

Added TIP4P-Ew

fixing of the quadrupoles

Revision 2151 - (view) (annotate) - [select for diffs]
Modified Fri Apr 8 14:41:40 2005 UTC (19 years, 2 months ago) by chrisfen
File length: 10594 byte(s)
Diff to previous 2130

added Cl- and Na+

Corrected changes to the forcefield files

Revision 2128 - (view) (annotate) - [select for diffs]
Modified Mon Mar 21 20:50:44 2005 UTC (19 years, 3 months ago) by chrisfen
File length: 10459 byte(s)
Diff to previous 2117

Chris debugging stuff.  HE WILL CHANGE THIS BACK, RIGHT?

quadrupoles for SSD models

Revision 2102 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 16:14:07 2005 UTC (19 years, 3 months ago) by tim
File length: 9797 byte(s)
Diff to previous 2098

minor change

fix a bug in SectionParser (lineNo is not updated)

Revision 2096 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 17:28:11 2005 UTC (19 years, 3 months ago) by tim
File length: 9887 byte(s)
Diff to previous 2083

change the format of DUFF2

Added a charge for Chlorine

Revision 1956 - (view) (annotate) - [select for diffs]
Modified Mon Jan 17 22:17:20 2005 UTC (19 years, 5 months ago) by tim
File length: 9357 byte(s)
Diff to previous 1921

forget to set dipole for lipid head group

rename newDUFF.frc to DUFF2.frc