AMBER Archive (2007)

Subject: Re: AMBER: MAXGRP error message

From: David A. Case (case_at_scripps.edu)
Date: Wed Feb 07 2007 - 11:43:33 CST

On Mon, Feb 05, 2007, Alexander Steudle wrote:

> I'm trying to restrain the distance between two centers of mass (like in the
> amber9 manual,example 5, page 203). I get the following error message:
>
> Error: Too many atom ranges need to be stored for center-of-mass distance
> restraints. MAXGRP = 9. This needs to be increased.
>
> Taking fewer atoms works fine. How can I increase the MAXGRP value? I
> checked the source code, but it's not clear to me.

This error message is not supposed to be encountered, since MAXGRP is
determined by an initial read through the restraints. Can you supply an
example that shows the error?

...thanks....dac

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