Re: [AMBER] Multiple temperature groups

From: David A Case <>
Date: Wed, 9 May 2018 21:52:59 -0400

On Thu, May 03, 2018, I Lőrincz wrote:
> I'm trying to set up a simulated annealing MD for a complex of a protein
> and a small drug. I want to keep the protein at a fixed temp, while varying
> the temperature of the ligand. Is it possible to set up multiple
> temperature groups in AMBER (similar to GROMACS) ?


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Received on Wed May 09 2018 - 19:00:01 PDT
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