On Thu, Aug 26, 2004 at 02:52:49PM +1200, bcur001@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