Re: AMBER: Trouble running molecular dynamics with an increase in temp in Sander

From: Andreas Svrcek-Seiler <svrci.tbi.univie.ac.at>
Date: Wed, 16 Jun 2004 16:58:33 +0200 (CEST)

Hi,
Your RESTRAINT enery seems to drop to -infinity, being converted into
kinetic energy (->vlimit). I'm not familiar with the Amber-restraint
options, but I think you should have a close look at them.

I hope that helps,
regards
Andreas 

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Received on Wed Jun 16 2004 - 16:53:01 PDT
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