- 28 Sep, 2012 1 commit
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Peter Eastman authored
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- 12 Aug, 2012 1 commit
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Mark Friedrichs authored
added tests to TestCudaAmoebaVdwForce for dispersion correction using box of 216 water molecules AmoebaVdwForce and AmoebaMultipoleForce now throw execptions if cutoff > 0.5*(box size)
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- 15 Jun, 2012 1 commit
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Mark Friedrichs authored
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- 30 Sep, 2011 1 commit
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Mark Friedrichs authored
TorsionTorsion grids reordered, if needed, so that first angle is the 'slow' index Fixes for MonteCarloBarostat
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- 07 Jan, 2011 1 commit
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Mark Friedrichs authored
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- 19 Nov, 2010 1 commit
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Mark Friedrichs authored
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- 06 Oct, 2010 2 commits
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Mark Friedrichs authored
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Mark Friedrichs authored
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- 27 Aug, 2010 1 commit
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Mark Friedrichs authored
Removal SASA code Versioning introduced in AmoebaTinkerParameterFile Decomposition of PME forces included in prm files
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- 27 Jul, 2010 1 commit
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Mark Friedrichs authored
Removed cubic/quartic per-atom parameters from AmoebaHarmonicBondForce
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- 22 Jul, 2010 1 commit
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Mark Friedrichs authored
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