- 19 Jan, 2016 3 commits
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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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- 15 Jan, 2016 5 commits
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peastman authored
Allow specification of extra particles in PDB files via element field and extraParticleIdentifier
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Rafal P. Wiewiora authored
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peastman authored
Loading a checkpoint marks that positions have been set
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Peter Eastman authored
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peastman authored
Record force group for AMOEBA forces
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- 14 Jan, 2016 8 commits
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Peter Eastman authored
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peastman authored
Improvements to addHydrogens()
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peastman authored
Fixed a bug in serializing CustomCentroidBondForce
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Peter Eastman authored
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peastman authored
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peastman authored
AMOEBA extrapolated polarization
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Peter Eastman authored
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Peter Eastman authored
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- 13 Jan, 2016 1 commit
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Peter Eastman authored
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- 12 Jan, 2016 2 commits
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Peter Eastman authored
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peastman authored
More acos protections in Amoeba
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- 11 Jan, 2016 3 commits
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peastman authored
Remove Jenkins badges from README.md
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Jason Swails authored
errors.
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Jason Swails authored
This copies the fix for the AmoebaTorsionTorsionForce over to the other two forces that calculate angles via the inverse cosine -- specifically the in-plane angle force and the stretch-bend force. The TorsionTorsion fix did not completely solve the occasional simulation blowup, although it did make it a *lot* less frequent (it went from happening within 5 minutes to happening ~once per day).
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- 10 Jan, 2016 2 commits
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Robert T. McGibbon authored
Fix push of dev user and developer guide HTMLs to S3
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John Chodera (MSKCC) authored
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- 09 Jan, 2016 11 commits
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Rafal P. Wiewiora 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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Robert T. McGibbon authored
Also build the HTML user guide in travis
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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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Robert T. McGibbon authored
Document how to turn on API docs building
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John Chodera (MSKCC) authored
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Peter Eastman authored
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- 08 Jan, 2016 2 commits
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Rafal P. Wiewiora authored
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Rafal P. Wiewiora authored
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- 07 Jan, 2016 3 commits
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Peter Eastman authored
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peastman authored
Add hooks for parameterizing unmatched residues in ForceField
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peastman authored
AmoebaTorsionTorsionForce avoids singularity in acos()
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