Re: [AMBER] close contact between atoms

From: David A Case <>
Date: Tue, 16 Jul 2019 07:34:16 -0400

On Mon, Jul 15, 2019, Sadaf Rani wrote:

>(Residue 1: GLN, Nonterminal, was not found in name map.)

This just means that you did not redefine what "GLN" means.

>Warning: Close contact of 1.285552 angstroms between .R<NVAL 27>.A<H1 2>
>and .R<GLN 28>.A<H 2>

It is not uncommon to get close contacts when you build hydrogens onto
crystal structures -- (not sure if that is what was done here are not.)
Since all these contacts are greater than 1 , they will probably go
away upon an initial minimization.

Basically, it looks like you should just proceed.


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Received on Tue Jul 16 2019 - 05:00:02 PDT
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