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by Sam Berry
Wed Dec 04, 2024 7:50 am
Forum: OpenMM
Topic: Constant pH simulations in OpenMM
Replies: 4
Views: 1255

Re: Constant pH simulations in OpenMM

I just wanted to add a +1 that if anybody resurrected this, I would use it! I known some OpenMM and am interested in running a constant pH simulation but at the moment it seems like OpenMM is not the tool for it. Would love to be a mature version of the protons package implemented in OpenMM.