- 07 Mar, 2018 3 commits
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peastman authored
handles virtual_sites2 and nbfix in gromacs topology
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Sunhwan Jo authored
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Sunhwan Jo authored
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- 06 Mar, 2018 1 commit
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Sunhwan Jo authored
- Test system is translated to the origin - Energy is computed again after updating Gromacs input to reflect no-cutoff option (rcoulomb = rlist = rvdw = 0.0)
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- 04 Mar, 2018 2 commits
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Sunhwan Jo authored
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Sunhwan Jo authored
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- 28 Feb, 2018 1 commit
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peastman authored
Merge changes from 7.2 branch to main branch
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- 21 Feb, 2018 2 commits
- 19 Feb, 2018 2 commits
- 16 Feb, 2018 2 commits
- 15 Feb, 2018 3 commits
- 14 Feb, 2018 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 13 Feb, 2018 1 commit
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peastman authored
Fixed an edge case bug for Gyrcuk Radii.
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- 12 Feb, 2018 1 commit
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Peter Eastman authored
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- 10 Feb, 2018 1 commit
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Michael Schnieders authored
Fixed an edge case bug for Gyrcuk Radii. If the radius (ri) of the atom being descreened is larger than sum of the separation distance (r) and scaled descreening radius (sk), then there is no descreening. This could happen for carbon atom (ri ~= 2) engulfing its bonded hydrogens (sk < 1).
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- 09 Feb, 2018 1 commit
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peastman authored
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- 08 Feb, 2018 1 commit
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peastman authored
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- 07 Feb, 2018 9 commits
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peastman authored
Fixed compilation error in kernel
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peastman authored
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peastman authored
LocalEnergyMinimizer switches to CPU if forces are getting clipped
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peastman authored
Added missing Windows exports
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peastman authored
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https://github.com/SimTk/openmmpeastman authored
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peastman authored
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peastman authored
Optimization to charge spreading
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peastman authored
Created RMSDForce
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- 06 Feb, 2018 1 commit
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peastman authored
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- 02 Feb, 2018 3 commits
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Peter Eastman authored
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Peter Eastman authored
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https://github.com/SimTk/openmmpeastman authored
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- 30 Jan, 2018 2 commits
- 26 Jan, 2018 1 commit
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https://github.com/SimTk/openmmpeastman authored
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- 24 Jan, 2018 1 commit
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Peter Eastman authored
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