- 06 Feb, 2020 1 commit
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peastman authored
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- 17 Jan, 2020 2 commits
- 14 Jan, 2020 1 commit
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Jaime RGP authored
Raise exception if large differences are observed so simtk.testInstallation can be used in CI testing reliably
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- 06 Jan, 2020 1 commit
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John Chodera authored
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- 04 Jan, 2020 3 commits
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John Chodera authored
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John Chodera authored
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John Chodera authored
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- 03 Jan, 2020 2 commits
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John Chodera authored
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John Chodera authored
Add new 'smirnoff' mode to ForceField improper torsion handling behaviors to allow SMIRNOFF trefoil torsions to be added correctly
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- 30 Dec, 2019 1 commit
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peastman authored
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- 16 Dec, 2019 2 commits
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Ennio Lavagnini authored
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Ennio Lavagnini authored
The following lipid were added to the addMembrane() method: DLPC, DLPE, DMPC, DOPC, DPPC. Original pdb files were taken from http://www.fos.su.se/~sasha/SLipids/Downloads.html . Original files were obtained at temperatures between 293K and 303K. NPT MD simulations were run for all the systems at 298K for ~10 ns and the last simulation step was used to create the pdb files.
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- 10 Dec, 2019 1 commit
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Zheng Gong authored
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- 06 Dec, 2019 1 commit
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Zheng Gong authored
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- 03 Dec, 2019 1 commit
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Maria Chiara Storer authored
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- 02 Dec, 2019 1 commit
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Maria Chiara Storer authored
Within Modeller.addExtraParticles(), add the ability to pass down an option to modify compiled.matchResidueToTemplate() 's ignoreExternalBonds parameter. https://simtk.org/plugins/phpBB/viewtopicPhpbb.php?f=161&t=11264&p=0&start=0&view=&sid=e384beeb08f3bfd767dcfb546006ad63
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- 15 Nov, 2019 1 commit
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Andy Simmonett authored
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- 12 Nov, 2019 2 commits
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peastman authored
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Andy Simmonett authored
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- 11 Nov, 2019 1 commit
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ljmartin authored
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- 05 Nov, 2019 1 commit
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peastman authored
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- 04 Nov, 2019 1 commit
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Andy Simmonett authored
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- 01 Nov, 2019 3 commits
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peastman authored
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Andy Simmonett authored
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Andy Simmonett authored
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- 29 Oct, 2019 1 commit
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peastman authored
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- 28 Oct, 2019 1 commit
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peastman authored
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- 25 Oct, 2019 2 commits
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João Rodrigues authored
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João Rodrigues authored
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- 24 Oct, 2019 6 commits
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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- 23 Oct, 2019 2 commits
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João Rodrigues authored
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João Rodrigues authored
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- 17 Oct, 2019 1 commit
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peastman authored
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- 12 Oct, 2019 1 commit
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joaorodrigues authored
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