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AgeCommit message (Expand)AuthorFilesLines
2010-12-16Applying contributed patches (see below)Thomas Fitzsimmons2-2/+4
2010-12-16Applying contributed patches for various makefilesThomas Fitzsimmons2-3/+3
2008-10-06C parser for AMBER force fieldEric Messick2-0/+650
2008-08-07fixed bug with QuteMolX payload not being foundDerrick Hendricks2-2/+51
2008-08-06misc. build changes.Derrick Hendricks2-2/+14
2008-08-05fixed bugs in the last checkin of the build scriptsDerrick Hendricks1-4/+4
2008-08-05mostly adding comment blocks to the scripts to make them easier to understandDerrick Hendricks1-81/+161
2008-08-04script tweaksDerrick Hendricks1-0/+2
2008-08-04minor tweaks to the build.sh filesDerrick Hendricks1-1/+8
2008-08-01Gromacs build files - first checkinDerrick Hendricks5-0/+398
2008-08-01minor tweaks to the buildMac.sh to make it compatible with the suite build.Derrick Hendricks1-7/+7
2008-07-30Build script for building QuteMolX and supporting filesDerrick Hendricks5-25/+151
2008-07-29QuteMolX buildMac.sh better versionDerrick Hendricks1-2/+30
2008-07-29first checkin of buildMac and needed files for QMX buildDerrick Hendricks2-0/+136
2008-07-29adding comments and error checking to the suite builder scriptsDerrick Hendricks2-22/+75
2008-07-24Added modifications for Qutemolx build and added a build script with needed f...Derrick Hendricks6-12/+204
2008-07-24Added all files for gromacs 3.3.3 build.Derrick Hendricks10-0/+525
2008-06-24Slight changes to PAM5 parametersEric Messick1-5/+9
2008-06-05minor changes to sim-params.txtEric Messick1-5/+3
2008-05-24new sim-params.txt from EricDEric Messick1-43/+62
2008-05-23add parameters for 3prime phosphateEric Messick1-0/+9
2008-05-22Fixed rotate and pan.Brian Helfrich3-50/+55
2008-05-21Added a compass, fixed mouse and mouse-button events for Mac.Brian Helfrich6-53/+75
2008-05-20changes to non-bonded exclusionsEric Messick1-0/+19
2008-05-20More changes to get things built.Brian Helfrich8-88/+85
2008-05-19Modified for Mac building.Brian Helfrich8-131/+108
2008-05-19Allow anchoring of PAM5 basepair virtual centersEric Messick1-0/+8
2008-05-15partial implementation yukawa params in sim-params.txtEric Messick1-0/+35
2008-05-13specify PAM5 strut ends in table formatEric Messick1-109/+24
2008-05-12specify PAM5 strut ends in cartesian coordinatesEric Messick1-50/+54
2008-05-06Shift Yukawa potential to minimize cutoff changeEric Messick1-2996/+2996
2008-05-05Add Yukawa potential to PAM3Eric Messick1-0/+7
2008-05-05=Variable ball radius in ball'n'stick model in QuteMolXPiotr Rotkiewicz4-24/+60
2008-05-03Add Yukawa terms near crossoversEric Messick1-0/+1000
2008-05-02Linear region in Yukawa potential near r=0Eric Messick1-20/+20
2008-05-01=Temporary fix for QuteMolX crashing on large models.Piotr Rotkiewicz2-3/+6
2008-05-01proper scaling of Yukawa potentialEric Messick1-1481/+1481
2008-04-29Remove Hydrogen stretch terms from Gromacs PAM5Eric Messick1-8/+6
2008-04-24TrajectoryGraphicsWindow autoplay on NV1 launch from within NE1Manoj Rajagopalan3-6/+23
2008-04-24New play-reverse iconManoj Rajagopalan33-732/+1028
2008-04-23Fixing break of build for revision #12637Manoj Rajagopalan1-0/+46
2008-04-23Adding files to repo to correct breakage of revision 12636Manoj Rajagopalan8-6/+1656
2008-04-23NV1 functional.Manoj Rajagopalan58-4774/+9175
2008-04-16Yukawa potential between PhosphatesEric Messick2-5491/+1991
2008-04-15Updated URL.Brian Helfrich1-1/+1
2008-04-15Fixed GROMACS+HDF5 URL.Brian Helfrich1-1/+1
2008-04-14Updated required Mac version.Brian Helfrich1-1/+1
2008-04-14GroupClassification field added to NXMoleculeSet.Manoj Rajagopalan8-3064/+3449
2008-04-14phosphate positioning, and latest PAM5 strutsEric Messick1-139/+59
2008-04-11modified to find readme file and change the name of the output file.Derrick Hendricks1-2/+2