Re: AMBER: Atoms closer to 2 angstroms to each other

From: David A. Case <>
Date: Mon, 7 May 2007 07:55:30 -0700

On Mon, May 07, 2007, Christopher Gaughan wrote:
> I would like to put a TER card after each 28aa
> mer in each strand to simulate the strand being composed of 8 distinct
> units. When I do so, Amber just reconnects them. I assume this is because
> the consecutive C and N termini I wish to simulate are too close together.

This is not correct. Amber may not be recognizing your TER cards (you need
a space after the "TER" in earlier versions of the code. Of course, this is
just a guess, since you did not give any details of what you did. But Amber
would not ignore a TER card based on any distances in the structure.


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Received on Wed May 09 2007 - 06:07:16 PDT
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