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Re: [modeller_usage] MAXATM

On Thu, Aug 26, 2004 at 02:52:49PM +1200, bcur001 AT ec.auckland.ac.nz wrote:
> Hello, I'm looking for any assistance anyone can offer with the following
> problem. I am attempting to create a model of a nitroreductase, and I'm
> getting the following error.
> 
> addatms_223E> Array too small. Increase  MAXATM
>               current maximum, current need:     2964     2965
> recover____E> ERROR_STATUS >= STOP_ON_ERROR:        1       1

See also http://salilab.org/archives/modeller_usage/2004/msg00262.html.
Modeller thinks you have 2964 atoms in your system, but you're ending up
with more. Make sure you are setting the correct TOPOLOGY_MODEL (see the
referenced post). If that doesn't work then you can work around the
problem by manually setting MAXRES in your TOP script, also in the
referenced post.

	Ben Webb, Modeller Caretaker
-- 
modeller-care@ucsf.edu             http://www.salilab.org/modeller/
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