[AMBER] H-REMD

From: Mele N. <nm10g13.soton.ac.uk>
Date: Wed, 5 Nov 2014 16:20:33 +0000

Dear Amber user,

I am currently using Temperature REMD simulation and I would like to use H-REMD to improve my knowledge.

However, I can't understand how to perform H-REMD in AMBER. With T-REMD we specify as an input file a set of temperatures (generated by gromacs generator in my case) so I would like to understand how do we choose the number of replicas?
I tried to find paper or tutorial on it but I couldn't managed, if you have any advices it would be appreciated.

Many thanks in advance,

Regards,

Nawel

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Received on Wed Nov 05 2014 - 08:30:01 PST
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