- 02 Feb, 2016 1 commit
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peastman authored
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- 28 Jan, 2016 3 commits
- 27 Jan, 2016 12 commits
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Jason Swails authored
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Jason Swails authored
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Jason Swails authored
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Jason Swails authored
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peastman authored
Compare 1-4 scaling factors by looking at size of difference
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peastman authored
Updated the user guide to clarify how to save simulations results
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Nate Stanley authored
different platforms and OpenMM versions, while Checkpoint files can not be exchanged between platforms or versions of Openmm.
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Nate Stanley authored
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Jason Swails authored
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Jason Swails authored
Also changes a bunch of old-style Python classes to new-style (Py3 only has the latter)
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Jason Swails authored
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Jason Swails authored
factors.
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- 26 Jan, 2016 6 commits
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peastman authored
Install typemaps.i for use by plugins
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peastman authored
Fix calling createSystem with unitless hydrogenMass
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Jason Swails authored
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peastman authored
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peastman authored
Improper torsions without wildcards override ones with
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Peter Eastman authored
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- 22 Jan, 2016 1 commit
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peastman authored
Updated documentation on installing to discuss conda
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- 21 Jan, 2016 17 commits
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peastman authored
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peastman authored
Add a method for retrieving list of matching templates to ForceField
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peastman 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
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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peastman authored
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