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@roygroup @ProteinQure

Popular repositories

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40 contributions in the last year

Jul Aug Sep Oct Nov Dec Jan Feb Mar Apr May Jun Jul Mon Wed Fri

Contribution activity

July 2018

Created a pull request in maccallumlab/meld that received 6 comments

Support for building explicit water/ion boxes using tleap

Fixes #46 This PR essentially just adds new parameters to SystemBuilder to interface with already existing tleap functionality in AmberTools/amberm…

+185 −3 6 comments

Created an issue in maccallumlab/meld that received 1 comment

Allow explicit water boxes in system builder

For convenience, it would helpful to be able to make extended peptides in explicit solvent using the SystemBuilder alone, rather than doing some tl…

1 comment
1 contribution in private repositories Jul 14

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