"wrappers/python/tests/systems/test_charmm_peptide_3.pdb" did not exist on "643473cee91fbf8e232d485012f7b8cf13d68829"
- 26 Oct, 2010 1 commit
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Mark Friedrichs authored
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- 22 Jul, 2010 1 commit
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Mark Friedrichs authored
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- 03 Nov, 2009 1 commit
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Mark Friedrichs authored
Free energy plugin added Plugin will not run w/ Obc or GB/VI forces unless line 2004 of gpu.cpp (gpu->sim.totalNonbondOutputBuffers = 2*gpu->sim.nonbondOutputBuffers;) is commented in -- working on removing this constraint Also unit tests for GB/VI currently fail
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- 12 Sep, 2009 1 commit
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Peter Eastman authored
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- 01 May, 2009 1 commit
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Peter Eastman authored
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- 21 Apr, 2009 1 commit
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Peter Eastman authored
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- 17 Apr, 2009 1 commit
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Peter Eastman authored
Modified the API for lots of classes so that the number of particles/bonds/etc. need not be specified in the constructor.
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- 09 Apr, 2009 1 commit
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Mark Friedrichs authored
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- 29 Oct, 2008 1 commit
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Peter Eastman authored
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- 22 Oct, 2008 1 commit
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Peter Eastman authored
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- 13 May, 2008 1 commit
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Peter Eastman authored
Modified the initialization order of ForceImpls to prevent them from trying to initialize themselves before the Platform had been chosen
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- 29 Apr, 2008 1 commit
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Peter Eastman authored
Continuing to implement ReferencePlatform (implemented GBSA kernels, added test case for SHAKE and fixed some bugs in it)
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- 16 Apr, 2008 2 commits
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Peter Eastman authored
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Peter Eastman authored
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