Re: Error : DIDN'T FIND vdW PARAMETER FOR ATOM TYPE C11

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>
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> 
> 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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