Age | Commit message (Expand) | Author | Files | Lines |
2010-12-16 | Applying contributed patches (see below) | Thomas Fitzsimmons | 2 | -2/+4 |
2010-12-16 | Applying contributed patches for various makefiles | Thomas Fitzsimmons | 2 | -3/+3 |
2008-10-06 | C parser for AMBER force field | Eric Messick | 2 | -0/+650 |
2008-08-07 | fixed bug with QuteMolX payload not being found | Derrick Hendricks | 2 | -2/+51 |
2008-08-06 | misc. build changes. | Derrick Hendricks | 2 | -2/+14 |
2008-08-05 | fixed bugs in the last checkin of the build scripts | Derrick Hendricks | 1 | -4/+4 |
2008-08-05 | mostly adding comment blocks to the scripts to make them easier to understand | Derrick Hendricks | 1 | -81/+161 |
2008-08-04 | script tweaks | Derrick Hendricks | 1 | -0/+2 |
2008-08-04 | minor tweaks to the build.sh files | Derrick Hendricks | 1 | -1/+8 |
2008-08-01 | Gromacs build files - first checkin | Derrick Hendricks | 5 | -0/+398 |
2008-08-01 | minor tweaks to the buildMac.sh to make it compatible with the suite build. | Derrick Hendricks | 1 | -7/+7 |
2008-07-30 | Build script for building QuteMolX and supporting files | Derrick Hendricks | 5 | -25/+151 |
2008-07-29 | QuteMolX buildMac.sh better version | Derrick Hendricks | 1 | -2/+30 |
2008-07-29 | first checkin of buildMac and needed files for QMX build | Derrick Hendricks | 2 | -0/+136 |
2008-07-29 | adding comments and error checking to the suite builder scripts | Derrick Hendricks | 2 | -22/+75 |
2008-07-24 | Added modifications for Qutemolx build and added a build script with needed f... | Derrick Hendricks | 6 | -12/+204 |
2008-07-24 | Added all files for gromacs 3.3.3 build. | Derrick Hendricks | 10 | -0/+525 |
2008-06-24 | Slight changes to PAM5 parameters | Eric Messick | 1 | -5/+9 |
2008-06-05 | minor changes to sim-params.txt | Eric Messick | 1 | -5/+3 |
2008-05-24 | new sim-params.txt from EricD | Eric Messick | 1 | -43/+62 |
2008-05-23 | add parameters for 3prime phosphate | Eric Messick | 1 | -0/+9 |
2008-05-22 | Fixed rotate and pan. | Brian Helfrich | 3 | -50/+55 |
2008-05-21 | Added a compass, fixed mouse and mouse-button events for Mac. | Brian Helfrich | 6 | -53/+75 |
2008-05-20 | changes to non-bonded exclusions | Eric Messick | 1 | -0/+19 |
2008-05-20 | More changes to get things built. | Brian Helfrich | 8 | -88/+85 |
2008-05-19 | Modified for Mac building. | Brian Helfrich | 8 | -131/+108 |
2008-05-19 | Allow anchoring of PAM5 basepair virtual centers | Eric Messick | 1 | -0/+8 |
2008-05-15 | partial implementation yukawa params in sim-params.txt | Eric Messick | 1 | -0/+35 |
2008-05-13 | specify PAM5 strut ends in table format | Eric Messick | 1 | -109/+24 |
2008-05-12 | specify PAM5 strut ends in cartesian coordinates | Eric Messick | 1 | -50/+54 |
2008-05-06 | Shift Yukawa potential to minimize cutoff change | Eric Messick | 1 | -2996/+2996 |
2008-05-05 | Add Yukawa potential to PAM3 | Eric Messick | 1 | -0/+7 |
2008-05-05 | =Variable ball radius in ball'n'stick model in QuteMolX | Piotr Rotkiewicz | 4 | -24/+60 |
2008-05-03 | Add Yukawa terms near crossovers | Eric Messick | 1 | -0/+1000 |
2008-05-02 | Linear region in Yukawa potential near r=0 | Eric Messick | 1 | -20/+20 |
2008-05-01 | =Temporary fix for QuteMolX crashing on large models. | Piotr Rotkiewicz | 2 | -3/+6 |
2008-05-01 | proper scaling of Yukawa potential | Eric Messick | 1 | -1481/+1481 |
2008-04-29 | Remove Hydrogen stretch terms from Gromacs PAM5 | Eric Messick | 1 | -8/+6 |
2008-04-24 | TrajectoryGraphicsWindow autoplay on NV1 launch from within NE1 | Manoj Rajagopalan | 3 | -6/+23 |
2008-04-24 | New play-reverse icon | Manoj Rajagopalan | 33 | -732/+1028 |
2008-04-23 | Fixing break of build for revision #12637 | Manoj Rajagopalan | 1 | -0/+46 |
2008-04-23 | Adding files to repo to correct breakage of revision 12636 | Manoj Rajagopalan | 8 | -6/+1656 |
2008-04-23 | NV1 functional. | Manoj Rajagopalan | 58 | -4774/+9175 |
2008-04-16 | Yukawa potential between Phosphates | Eric Messick | 2 | -5491/+1991 |
2008-04-15 | Updated URL. | Brian Helfrich | 1 | -1/+1 |
2008-04-15 | Fixed GROMACS+HDF5 URL. | Brian Helfrich | 1 | -1/+1 |
2008-04-14 | Updated required Mac version. | Brian Helfrich | 1 | -1/+1 |
2008-04-14 | GroupClassification field added to NXMoleculeSet. | Manoj Rajagopalan | 8 | -3064/+3449 |
2008-04-14 | phosphate positioning, and latest PAM5 struts | Eric Messick | 1 | -139/+59 |
2008-04-11 | modified to find readme file and change the name of the output file. | Derrick Hendricks | 1 | -2/+2 |