Re: [AMBER] How to set interatomic distance restraint?

From: David A Case <>
Date: Fri, 3 Jul 2015 08:26:56 -0400

On Fri, Jul 03, 2015, Michael Shokhen wrote:
> Unfortunately I failed to find in Amber manual and archive
> a clear example of the command lines how to set the interatomic distance
> restraint
> and to add it to the md.inp script file for productive MD simulation.

These are termed "NMR" restraints (for historical reasons) in Amber jargon.
See Section 24.1 ("Distance, angle and torsion restraints") in the 2015
Amber Reference Manual for details.


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Received on Fri Jul 03 2015 - 05:30:03 PDT
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