[AMBER] REMD equilibration

From: Soumya Lipsa Rath <soumyalipsabt.gmail.com>
Date: Fri, 8 Jun 2012 09:28:31 +0530

Dear Amber Users,

I am trying to run Replica exchange MD simulation implicitly. During the
equilibration step and at higher temperatures, the structure of my protein
becomes distorted. I have given the chirality restraints on the protein
backbone. I wanted to know whether structural distortions at higher
temperatures in normal or do I need to modify/add some parameters?

Thanks,

Soumya
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Received on Thu Jun 07 2012 - 21:00:02 PDT
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