Re: AMBER: lastrst

From: Furse, Kristina Elisabet <>
Date: Wed, 23 Feb 2005 15:36:08 -0600

> were being exceeded and temperature was blowing up. When I tried the
> restraining
> option as opposed to the belly option, the atoms that I wanted pinned moved
> even with higher harmonic force constants, so I went back to belly.

You probably already know this, but just in case--the group input is opposite
for belly and ntr. For belly you list the atoms which should move, and for ntr
you list the ones to be restrained.


Kristina E. Furse
Department of Chemistry
Center for Structural Biology
Vanderbilt University
Email: kristina.e.furse.Vanderbilt.Edu
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Received on Wed Feb 23 2005 - 21:53:02 PST
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