Subject: Re: CCL:Warning Message in Charmm: STRING TOO SMALL (fwd)

From: "Xiang(Simon) Wang" <[email-masked]>
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 <[email-masked]>
To: "Xiang(Simon) Wang" <[email-masked]>
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
[email-masked]          |    \  /  |=|    position of the FDA; for that,
[email-masked]              \/   |=|    see   http://www.fda.gov  )