AMBER Archive (2008)

Subject: Re: AMBER: COM RESTRAINT

From: David A. Case (case_at_scripps.edu)
Date: Fri May 23 2008 - 00:19:24 CDT

On Thu, May 22, 2008, fatima.chami_at_durham.ac.uk wrote:

> I set up the following restraint between the centers of mass of two residues,
> each contains 37 atoms.
> Sander failed to read this file with an output error as:
> Restraints will be read from file: dist.RST
> Here are comments from the DISANG input file:
>
> Error: No atom 01 in residue 1

This is one of our better error messages, I would think.

>
> ....grnam1(26)='01',grnam1(27)='O3',grnam1(28)='O4',
                ^^^^^^

You have written "zero-one" here, instead of the letter "O".

...dac

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