Re: CCL:Warning Message in Charmm: STRING TOO SMALL (fwd)
- From: "Xiang(Simon) Wang" <simwang \\at//
chem.ufl.edu>
- Subject: Re: CCL:Warning Message in Charmm: STRING TOO SMALL
(fwd)
- Date: Sun, 26 Aug 2001 02:37:19 -0400 (EDT)
Dear CCLers:
Last October I asked the question about the warning message from the
CHARMM. Sorry that I forgot to summarize the answers at that time.
Recently I received several messages inquiring the answers. So I forward
Rick Venable's answer here. Thanks for his answer.
Regards,
Simon WANG
---------- Forwarded message ----------
Date: Mon, 2 Oct 2000 19:54:58 -0400
From: Rick Venable <rvenable \\at// gandalf.cber.nih.gov>
To: "Xiang(Simon) Wang" <simwang \\at// chem.ufl.edu>
Subject: Re: CCL:Warning Message in Charmm: STRING TOO SMALL
On Mon, 2 Oct 2000, Xiang(Simon) Wang wrote:
> I met the following warning message when reading thousands of TIP3
> molecules in Charmm:
>
> ***** LEVEL -1 WARNING FROM <ENCODI> *****
> ***** STRING TOO SMALL
>
> Please help me if you know how to avoid such warning. Thanks.
Because a 4-char string is used for the RESID (residue ID number) in
CHARMM, you can only have 9999 water molecules within a single
segment. There's an easy fix-- just split your waters into more than
one segment, each with less than 10,000 molecules.
--
Rick Venable =====\ |=| "Eschew Obfuscation"
FDA/CBER Biophysics Lab |____/ |=|
Bethesda, MD U.S.A. | \ / |=| ( Not an official statement or
Rick_Venable \\at// nih.gov | \ / |=| position of the FDA; for
that,
rvenable \\at// speakeasy.org \/ |=| see http://www.fda.gov )