"plugins/vscode:/vscode.git/clone" did not exist on "55678aa13f1eb27c313383a5d982f6f46ccd5bea"
- 02 Jul, 2014 4 commits
- 27 Jun, 2014 1 commit
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peastman authored
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- 24 Jun, 2014 1 commit
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John Chodera (MSKCC) authored
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- 28 May, 2014 1 commit
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Jason Swails authored
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- 27 May, 2014 2 commits
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Jason Swails authored
element.
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Jason Swails authored
fix the remaining CI issues. Also make sure .ncrst files are copied over in the test directory.
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- 21 May, 2014 1 commit
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Jason Swails authored
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- 04 May, 2014 2 commits
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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- 15 Apr, 2014 1 commit
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Jason Swails authored
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- 10 Apr, 2014 2 commits
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Jason Swails authored
(again, code pulled from ParmEd) and update the tests to include this.
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Jason Swails authored
pick up some bugs that were not caught in my initial test following the port from ParmEd. All 4 tests pass right now, although no periodic systems are being tested. Currently CHARMM, XPLOR, and VMD tests are all being run (for the same ala-3 system). Disable implicit solvent tests, since there is no robust radii assignment routine yet (the radii are stored in the Amber topology file). I will port my assignment routine from ParmEd here shortly and then re-enable the GB tests.
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- 09 Apr, 2014 1 commit
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Robert McGibbon authored
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- 28 Mar, 2014 2 commits
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Robert McGibbon authored
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Robert McGibbon authored
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- 27 Mar, 2014 3 commits
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
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- 12 Mar, 2014 1 commit
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Robert McGibbon authored
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- 02 Oct, 2013 1 commit
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Robert McGibbon authored
Added unittest and 1 system tests. Includes 1 bugfix to resolving a circular import and 1 bugfix where dms wasn't creating the topology correctly when the water was specified in different chains
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- 13 Sep, 2013 1 commit
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peastman authored
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- 27 Aug, 2013 1 commit
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peastman authored
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- 01 Aug, 2013 1 commit
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peastman authored
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