AMBER Archive (2002)

Subject: Re: Problem

From: David Case (case_at_scripps.edu)
Date: Fri Nov 29 2002 - 13:49:20 CST

On Fri, Nov 29, 2002, Monica wrote:

> Restraints will be read from file: cgadmhb_lessout
> Here are comments from the DISANG input file:
> #
> # 1 DC5 H1' 1 DC5 H2'1 2.20 2.60
> Error: Atom 1 in following group definition is greater than total # atoms
> 515 ~

Unless you post some information about the restraint file you are
using, I don't see how anyone could be expected to help. The error message
seems pretty clear: look at the group definitions, compare them to the
number of atoms in the system.

Setting "LISTIN=POUT" will provide more detailed info about your restraints;
that might help you track down the problem.

...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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