From chemistry-request %-% at %-% server.ccl.net Sun Aug 26 02:37:20 2001 Received: from chem.ufl.edu ([128.227.16.141]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f7Q6bKM00960 for ; Sun, 26 Aug 2001 02:37:20 -0400 Received: from chem.ufl.edu (chem.ufl.edu [128.227.16.141]) by chem.ufl.edu (8.9.1/8.9.1/map) with ESMTP id CAA21264 for ; Sun, 26 Aug 2001 02:37:20 -0400 (EDT) Date: Sun, 26 Aug 2001 02:37:19 -0400 (EDT) From: "Xiang(Simon) Wang" To: CHEMISTRY # - at - # ccl.net Subject: Re: CCL:Warning Message in Charmm: STRING TOO SMALL (fwd) Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII 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 To: "Xiang(Simon) Wang" 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 ***** > ***** 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 )