AMBER Archive (2004)

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

From: Andreas Svrcek-Seiler (svrci_at_tbi.univie.ac.at)
Date: Wed Jun 16 2004 - 09:58:33 CDT

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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