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PB-AM for large systems - optimize #1

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lfelberg opened this issue May 19, 2016 · 0 comments
Open

PB-AM for large systems - optimize #1

lfelberg opened this issue May 19, 2016 · 0 comments

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@lfelberg
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It seems like PBAM is taking a long time to run for larger systems (1BRS with 125 molecules). Need to look into this and try tinkering with the #poles and convergence criteria.
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@lfelberg