[gmx-users] Replica exchange MD analysis

Dallas Warren dallas.warren at monash.edu
Mon Mar 25 00:42:18 CET 2019


For future questions, if you don't get a response, then change the
question, add further details etc. Repeating the same question several
times doesn't improve your chances of getting a response.

Your question is very broad, general and lacks specifics, hence why no one
has responded. Show that you've done some work, tried things, used existing
resources, etc. No one is here to do your research for you.

Questions to ask yourself : Why are you performing REMD? What property or
properties will provide insight into that? What analysis can you perform to
gain insight into the behaviour of those properties? What is published in
the same/similar area? What analysis, scripts and software have you tried?
What exactly are you having difficulty with? "I am not able to get the
analysis part" doesn't really tell us anything.

On Sun, 24 Mar. 2019, 8:51 pm 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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