Re: AMBER: Problem to converge minimization

From: David A. Case <>
Date: Mon, 5 Jul 2004 08:22:01 -0700

On Mon, Jul 05, 2004, Guillaume Bollot wrote:

> I have a problem to converge a minimization with SANDER to AMBER7. After
> molecular dynamic, I want to minimize my antibody (3500 atoms) with the
> frame #275 from trajectory file with a treshold (0.5). I put my geometry
> from PTRAJ but the minimization done with the following message error:

Make sure you do not have SHAKE turned on, as well.


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Received on Mon Jul 05 2004 - 16:53:01 PDT
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