- 18 Jun, 2009 19 commits
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Peter Eastman authored
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Michael Sherman authored
- updated the Readme file
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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- 17 Jun, 2009 8 commits
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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Christopher Bruns authored
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Michael Sherman authored
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Michael Sherman authored
Reworked the Ethane example to use the same structure as the NaCl one, and made a few minor changes to NaCl too.
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- 16 Jun, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 14 Jun, 2009 1 commit
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Michael Sherman authored
(1) Changed HelloArgon to avoid use of now-obsolete context.getTime() to avoid future problems with variable step integration. (2) Added HelloArgonInC.
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- 13 Jun, 2009 1 commit
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Mark Friedrichs authored
In calcForces() kReduceBornSumAndForces kernel is not needed since Born radii/Obc chain term now calculated prior to calculation of forces Modified kCalculateObcGbsaBornSum kernel loop to match that in kCalculateCDLJObcGbsaForces1; Born sums are zero w/o mods
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- 12 Jun, 2009 4 commits
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Peter Eastman authored
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Michael Sherman authored
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Michael Sherman authored
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Michael Sherman authored
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- 11 Jun, 2009 5 commits
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Michael Sherman authored
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Michael Sherman authored
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Peter Eastman authored
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Peter Eastman authored
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Peter Eastman authored
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