AMBER Archive (2005)

Subject: Re: AMBER: lastrst

From: Furse, Kristina Elisabet (kristina.e.furse_at_vanderbilt.edu)
Date: Wed Feb 23 2005 - 15:36:08 CST

> 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

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Kristina E. Furse
Department of Chemistry
Center for Structural Biology
Vanderbilt University
Email: kristina.e.furse_at_Vanderbilt.Edu
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