"plugins/drude/platforms/hip/src/HipDrudeKernelFactory.cpp" did not exist on "edbc8407b0361ce5152bad4bd91597080dee3b58"
- 21 Jan, 2016 15 commits
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peastman authored
Add a method for retrieving list of matching templates to ForceField
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jchodera authored
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jchodera authored
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jchodera authored
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peastman authored
Update travis to use CUDA 7.5
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jchodera authored
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jchodera authored
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jchodera authored
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jchodera authored
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jchodera authored
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peastman authored
Add methods to retrieve residues without matching forcefield residue templates
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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peastman authored
Created property for disabling the PME stream
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Peter Eastman authored
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- 20 Jan, 2016 16 commits
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peastman authored
Fixed bug in selecting device index
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peastman authored
Enable wildcard use for Atom Types
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peastman authored
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Rafal P. Wiewiora authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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Rafal P. Wiewiora authored
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peastman authored
Update README.md badges and links
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
Add test for parameterizing system using templates built with the help of getUniqueUnmatchedResidues()
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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- 19 Jan, 2016 9 commits
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peastman authored
Move all of the logic for GB parameter assignment into the new subclasses
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jchodera authored
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peastman authored
Fix error in ionicStrength definition in Modeller.addSolvent()
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jchodera authored
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jchodera authored
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jchodera authored
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jchodera authored
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peastman authored
Removed calls to cufftSetCompatibilityMode()
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Jason Swails authored
mm.GBSAOBCForce as well.
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