[ViewVC] Log of: group/trunk/OOPSE-2.0/forceFields

Revision 2333 - Directory Listing - [select for diffs]
Modified Wed Sep 28 16:32:21 2005 UTC (18 years, 9 months ago) by gezelter
Diff to previous 2292

Added DIP atom types for 2-point water model

Revision 2292 - Directory Listing - [select for diffs]
Modified Thu Sep 15 00:10:58 2005 UTC (18 years, 9 months ago) by chrisfen
Diff to previous 2247

re-added Cl- and Na+

Revision 2247 - Directory Listing - [select for diffs]
Modified Sun May 29 21:14:38 2005 UTC (19 years, 1 month ago) by chrisfen
Diff to previous 2232

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

Revision 2232 - Directory Listing - [select for diffs]
Modified Wed May 18 19:06:22 2005 UTC (19 years, 1 month ago) by chrisfen
Diff to previous 2229

just some tap changes

Revision 2229 - Directory Listing - [select for diffs]
Modified Tue May 17 22:35:01 2005 UTC (19 years, 1 month ago) by chrisfen
Diff to previous 2226

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

Revision 2226 - Directory Listing - [select for diffs]
Modified Tue May 17 02:09:25 2005 UTC (19 years, 1 month ago) by kdaily
Diff to previous 2225

added gb

Revision 2225 - Directory Listing - [select for diffs]
Modified Fri May 13 20:36:15 2005 UTC (19 years, 1 month ago) by chrisfen
Diff to previous 2224

Better tap

Revision 2224 - Directory Listing - [select for diffs]
Modified Thu May 12 19:43:48 2005 UTC (19 years, 1 month ago) by chrisfen
Diff to previous 2221

Couple of changes for TAP water.  Need to parametrize.

Revision 2221 - Directory Listing - [select for diffs]
Modified Thu May 5 15:06:04 2005 UTC (19 years, 1 month ago) by chrisfen
Diff to previous 2220

Changed SHED to TAP

Revision 2220 - Directory Listing - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (19 years, 1 month ago) by chrisfen
Diff to previous 2216

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

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 2161

Added TIP4P-Ew

Revision 2161 - Directory Listing - [select for diffs]
Modified Mon Apr 11 20:18:53 2005 UTC (19 years, 2 months ago) by chrisfen
Diff to previous 2151

fixing of the quadrupoles

Revision 2151 - Directory Listing - [select for diffs]
Modified Fri Apr 8 14:41:40 2005 UTC (19 years, 2 months ago) by chrisfen
Diff to previous 2130

added Cl- and Na+

Revision 2130 - Directory Listing - [select for diffs]
Modified Mon Mar 21 22:34:40 2005 UTC (19 years, 3 months ago) by chrisfen
Diff to previous 2128

Corrected changes to the forcefield files

Revision 2128 - Directory Listing - [select for diffs]
Modified Mon Mar 21 20:50:44 2005 UTC (19 years, 3 months ago) by chrisfen
Diff to previous 2117

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

Revision 2117 - Directory Listing - [select for diffs]
Modified Fri Mar 11 15:52:59 2005 UTC (19 years, 3 months ago) by gezelter
Diff to previous 2102

quadrupoles for SSD models

Revision 2102 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:14:07 2005 UTC (19 years, 3 months ago) by tim
Diff to previous 2098

minor change

Revision 2098 - Directory Listing - [select for diffs]
Modified Wed Mar 9 17:58:33 2005 UTC (19 years, 3 months ago) by tim
Diff to previous 2096

fix a bug in SectionParser (lineNo is not updated)

Revision 2096 - Directory Listing - [select for diffs]
Modified Wed Mar 9 17:28:11 2005 UTC (19 years, 3 months ago) by tim
Diff to previous 2083

change the format of DUFF2

Revision 2083 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:05:18 2005 UTC (19 years, 3 months ago) by gezelter
Diff to previous 1956

Added a charge for Chlorine

Revision 1956 - Directory Listing - [select for diffs]
Modified Mon Jan 17 22:17:20 2005 UTC (19 years, 5 months ago) by tim
Diff to previous 1952

forget to set dipole for lipid head group

Revision 1952 - Directory Listing - [select for diffs]
Modified Fri Jan 14 21:37:28 2005 UTC (19 years, 5 months ago) by tim
Diff to previous 1928

sync Makefile

Revision 1928 - Directory Listing - [select for diffs]
Modified Wed Jan 12 17:25:52 2005 UTC (19 years, 5 months ago) by tim
Diff to previous 1923

remove some useless force fields

Revision 1923 - Directory Listing - [select for diffs]
Modified Tue Jan 11 16:36:50 2005 UTC (19 years, 5 months ago) by tim
Diff to previous 1921

adding new format of EAM force field

Revision 1921 - Directory Listing - [select for diffs]
Modified Tue Jan 11 16:23:42 2005 UTC (19 years, 5 months ago) by tim
Diff to previous 1894

rename newDUFF.frc to DUFF2.frc

Revision 1894 - Directory Listing - [select for diffs]
Modified Thu Dec 16 19:00:23 2004 UTC (19 years, 6 months ago) by tim
Diff to previous 1862

adding new EAM force field files

Revision 1862 - Directory Listing - [select for diffs]
Modified Tue Dec 7 02:18:54 2004 UTC (19 years, 6 months ago) by tim
Diff to previous 1861

merge WATER force field into DUFF

Revision 1861 - Directory Listing - [select for diffs]
Modified Tue Dec 7 01:33:42 2004 UTC (19 years, 6 months ago) by tim
Diff to previous 1855

change the force constant of bonds

Revision 1855 - Directory Listing - [select for diffs]
Modified Sun Dec 5 22:21:55 2004 UTC (19 years, 6 months ago) by tim
Diff to previous 1853

minor fix in DUFF

Revision 1853 - Directory Listing - [select for diffs]
Modified Sun Dec 5 17:12:18 2004 UTC (19 years, 6 months ago) by tim
Diff to previous 1839

minor fix in force field file

Revision 1839 - Directory Listing - [select for diffs]
Modified Fri Dec 3 00:06:11 2004 UTC (19 years, 6 months ago) by tim
Diff to previous 1838

minor fix

Revision 1838 - Directory Listing - [select for diffs]
Modified Thu Dec 2 23:15:04 2004 UTC (19 years, 6 months ago) by tim
Diff to previous 1761

new ForceField format

Revision 1761 - Directory Listing - [select for diffs]
Modified Fri Nov 19 20:37:11 2004 UTC (19 years, 7 months ago) by tim
Diff to previous 1755

new DUFF forcefield

Revision 1755 - Directory Listing - [select for diffs]
Modified Thu Nov 18 21:42:31 2004 UTC (19 years, 7 months ago) by tim
Diff to previous 1550

adding new format DUFF force field

Revision 1550 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:26:10 2004 UTC (19 years, 8 months ago) by tim
Diff to previous 1490

add Makefile

Revision 1490 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (19 years, 9 months ago) by gezelter

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