From: Chris Harrison (char_at_ks.uiuc.edu)
Date: Sat Apr 11 2009 - 10:20:44 CDT
This "atom type" doesn't exist in the typical CHARMM parameter set. Are
you sure this isn't an atom name that didn't somehow end up an atom type
field? Otherwise, you'll have to develop parameters for your atom type.
C.
-- Chris Harrison, Ph.D. Theoretical and Computational Biophysics Group NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801 char_at_ks.uiuc.edu Voice: 217-244-1733 http://www.ks.uiuc.edu/~char Fax: 217-244-6078 Goutham <gouthambs_at_gmail.com> writes: > Date: Fri, 10 Apr 2009 22:54:22 -0700 > From: Goutham <gouthambs_at_gmail.com> > To: namd-l_at_ks.uiuc.edu > Subject: namd-l: Error : DIDN'T FIND vdW PARAMETER FOR ATOM TYPE C11 > Return-Path: char_at_halifax.ks.uiuc.edu > Message-ID: <4073fd2f0904102254o7a53240cmb0b3b88a22132e35_at_mail.gmail.com> > X-Spam-Status: No, score=-1.7 required=5.0 tests=AWL,BAYES_00,HTML_10_20, > HTML_MESSAGE,UPPERCASE_25_50 autolearn=no version=3.1.7-0+tcb1 > > Hey All, > In one of the namd runs, I get the following error: > DIDN'T FIND vdW PARAMETER FOR ATOM TYPE C11. > > Does any one have an idea what might be the reason? > > Thanks > Goutham
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