Re: [AMBER] harmonic restraint file

From: David A Case <>
Date: Wed, 28 Jan 2015 13:17:24 -0500

On Wed, Jan 28, 2015, abdennour braka wrote:

> I'd like to restrain positions of some CA atoms of a protein whith a
> spicific harmonc potentiel for eash CA.

This sounds like something the GROUP syntax would be used for. You can put a
number of groups (e.g. one for each CA to be restrained) at the end of the
mdin input file. In this scenario, all the restraints are in that one file.


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Received on Wed Jan 28 2015 - 10:30:04 PST
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