pyMBAR for Temperature Replica Exchange

Analyze data from multiple equilibrium simulations at different thermodynamic states
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Alex Predeus
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Joined: Thu Feb 25, 2010 1:14 pm

pyMBAR for Temperature Replica Exchange

Post by Alex Predeus » Thu Sep 08, 2011 1:36 pm

Hello All,

I'm not sure if anyone is visiting these forums at all but I thought I'd still give it a try.

I was wondering if there's a separate version of pyMBAR that would allow one to unbias the results of temperature replica exchange simulation. Sort of similar to what ptWHAM was doing.

Thank you!

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