- 10 Dec, 2018 1 commit
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egallicc authored
* Implementation of OPLS through DMS reader * Improved Implementation of OPLS through DMS reader * raise errors for invalid implicit solvent settings
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- 01 Aug, 2018 1 commit
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huangj authored
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- 15 Jun, 2018 1 commit
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Peter Eastman authored
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- 22 May, 2018 1 commit
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peastman authored
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- 06 Apr, 2018 1 commit
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peastman 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 1 commit
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Sunhwan Jo authored
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- 21 Feb, 2018 1 commit
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peastman authored
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- 04 Dec, 2017 1 commit
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Andrea Rizzi authored
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- 29 Nov, 2017 1 commit
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peastman authored
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- 07 Oct, 2017 1 commit
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peastman authored
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- 26 Sep, 2017 2 commits
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João Rodrigues authored
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João Rodrigues authored
Changed format to 'pdbx' for consistency within the test framework. Added 'cif' to CMakeLists.txt for correctness for the future
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- 25 Sep, 2017 1 commit
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João Rodrigues authored
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- 11 Sep, 2017 1 commit
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peastman authored
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- 08 Sep, 2017 1 commit
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peastman authored
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- 25 May, 2017 1 commit
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Jason Swails authored
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- 24 May, 2017 2 commits
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Jason Swails authored
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Jason Swails authored
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- 19 May, 2017 1 commit
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peastman authored
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- 05 May, 2017 1 commit
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Jason Swails authored
createSystem for both Amber and CHARMM files.
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- 25 Apr, 2017 1 commit
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peastman authored
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- 20 Apr, 2017 3 commits
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Rafal P. Wiewiora authored
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Rafal P. Wiewiora authored
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Rafal P. Wiewiora authored
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- 14 Apr, 2017 1 commit
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peastman authored
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- 10 Apr, 2017 1 commit
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Stephen Constable authored
Updated description of unit test that was added.
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- 07 Apr, 2017 1 commit
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Stephen Constable authored
I’m not sure how to trigger the unit testing suite, but this code should test the changes I’ve made.
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- 04 Mar, 2017 1 commit
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peastman authored
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- 03 Mar, 2017 2 commits
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peastman authored
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Rafal P. Wiewiora authored
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- 02 Mar, 2017 2 commits
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Rafal P. Wiewiora authored
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Rafal P. Wiewiora authored
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- 28 Feb, 2017 1 commit
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peastman authored
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- 22 Feb, 2017 1 commit
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peastman authored
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- 01 Feb, 2017 1 commit
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Kyle Beauchamp authored
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- 26 Jan, 2017 1 commit
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Peter Eastman authored
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- 11 Nov, 2016 1 commit
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Jason Swails authored
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- 09 Nov, 2016 2 commits
