Re: [AMBER] Questions (and a small bug report) about SIRAH in Amber

From: Charo del Genio <>
Date: Sat, 29 Aug 2020 14:52:09 +0100

On 28/08/2020 17:57, Matias Machado wrote:
> Just for the record of this thread...
> I've just uploaded a new release version of SIRAH for AMBER [version: x2.2_20-08] to our web [], including the bugfix for the LJoff.fcrmod issue.
> It was tested to correctly work on cmake and legacy builds of AMBER Tools 19 and 20.
> Enjoy it!
> Matías

Thank you very much, that's great!

By the way, do you happen to have some suggestion on how to do energy analysis on a coarse-grained trajectory? I would normally use "energy" and "lie" from cpptraj, but I am not sure they would give
sensible results after CG. What is your suggestion?



Dr. Charo I. del Genio
Senior Lecturer in Statistical Physics
Applied Mathematics Research Centre (AMRC)
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Coventry University Technology Park
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Received on Sat Aug 29 2020 - 07:00:02 PDT
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