- 23 Oct, 2020 1 commit
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peastman authored
* Added HMR to make ApoA1 benchmark more stable * Removed debugging code
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- 22 Jun, 2020 1 commit
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Peter Eastman authored
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- 14 Feb, 2020 1 commit
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Peter Eastman authored
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- 17 Jan, 2020 1 commit
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peastman authored
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- 08 Jan, 2020 1 commit
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Peter Eastman authored
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- 05 Jan, 2020 1 commit
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Frazer Leslie Clews authored
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- 21 Oct, 2019 1 commit
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peastman authored
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- 01 Jul, 2019 1 commit
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peastman authored
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- 08 May, 2018 1 commit
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peastman authored
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- 28 Nov, 2017 1 commit
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peastman authored
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- 24 Dec, 2016 2 commits
- 22 Sep, 2016 1 commit
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Peter Eastman authored
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- 21 Apr, 2016 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 14 Jan, 2016 1 commit
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Peter Eastman authored
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- 22 Oct, 2015 1 commit
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Robert McGibbon authored
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- 10 Sep, 2015 1 commit
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Peter Eastman authored
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- 27 Aug, 2015 1 commit
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peastman authored
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- 12 Aug, 2015 1 commit
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Peter Eastman authored
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- 10 Mar, 2015 1 commit
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peastman authored
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- 10 Feb, 2015 1 commit
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Peter Eastman authored
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- 19 Nov, 2014 2 commits
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peastman authored
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Jason Swails authored
import of the new testInstallation module and a command to run the tests. This way, we only have one place where we need to maintain this code, yet the current workflow of "run testInstallation.py" still works.
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- 18 Nov, 2014 1 commit
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peastman authored
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- 04 Nov, 2014 1 commit
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peastman authored
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- 11 Aug, 2014 1 commit
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peastman authored
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- 23 Jul, 2014 1 commit
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peastman authored
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- 23 Jun, 2014 2 commits
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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- 03 Jun, 2014 1 commit
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Jason Swails authored
the 3rd and 4th columns, making it an invalid Amber inpcrd file (which the new parser cannot handle).
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- 18 Apr, 2014 1 commit
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Jason Swails authored
simulateCharmm.py to use the latest force fields. This is what CHARMM does for their own tutorials, so this is fine.
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- 17 Apr, 2014 1 commit
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Jason Swails authored
to prevent users from actually using them.
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- 15 Apr, 2014 1 commit
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Jason Swails authored
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- 14 Apr, 2014 2 commits
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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- 12 Apr, 2014 2 commits
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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- 09 Apr, 2014 1 commit
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Jason Swails authored
Add a test case and example for running with CHARMM files.
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- 20 Dec, 2013 1 commit
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peastman authored
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