AMBER Archive (2004)

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

From: Andreas Svrcek-Seiler (
Date: Wed Jun 16 2004 - 09:58:33 CDT

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,

           ( O O )
              o        Wolfgang Andreas Svrcek-Seiler  
              o        (godzilla) 
      .oooO            Tel.:01-4277-52733 
      (   )   Oooo.    
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