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 [http://www.sirahff.com], 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!
> MatÃas
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?
Cheers,
Charo
--
Dr. Charo I. del Genio
Senior Lecturer in Statistical Physics
Applied Mathematics Research Centre (AMRC)
Design Hub
Coventry University Technology Park
Coventry CV1 5FB
UK
https://charodelgenio.weebly.com
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Received on Sat Aug 29 2020 - 07:00:02 PDT
