[gmx-users] Replica exchange MD analysis

Mark Abraham mark.j.abraham at gmail.com
Mon Mar 25 14:13:11 CET 2019


This is the same as for any other scientific experiment. You need to have
thought about what you hope to learn and what you need to record in order
to analyse the results. REMD is essentially no different here.


On Sun., 24 Mar. 2019, 10:51 Rituraj Purohit, <riturajpurohit94 at gmail.com>

> Dear Friends,
> I performed REMD by following tutorial provided by Mark Abraham, But I
> am not able to get the analysis part. Is a step-wise tutorial
> available ? I would be thankful to you if anyone of you could help me
> to perform analysis of REMD output. Thanking you
> Regards
> RajP
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