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

From: David A Case <>
Date: Sun, 5 Jul 2015 09:06:09 -0400

On Sun, Jul 05, 2015, Michael Shokhen wrote:
> Thank you for the specifying the manual pages in chapter 24.1.
> Unfortunately the mentioned text is very brief and insufficient for a
> new user as me.

> I would appreciate if you could give a detailed example of input file
> for minimization and MD simulation accounting interatomic distance
> restraints for one or two atomic pairs.

Please consult section 24.11 ("Some sample input files"), and especially
Section 24.11.2, which seems to provide what you are asking for.


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Received on Sun Jul 05 2015 - 06:30:02 PDT
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