VMD-L Mailing List

From: Jan Saam (saam_at_ks.uiuc.edu)
Date: Thu Dec 20 2007 - 17:18:10 CST

Snoze,
interesting, that error never occured before and I loaded metal
containing systems.
Which version of Gaussian are you using?
Can you send me your logfile, then I'll try to find the problem.

Jan

snoze pa wrote:
> Dear VMD users
>
> I am trying to use vmd QM tools. I have a metal in the system. When I
> am loading the Gaussian log file, it is saying the
> metal atom must be an integer followed by ?
>
> what is this message about.. any help
>
> thanks in advance
> s 

-- 
****************************************
Jan Saam
Theoretical and Computational Biophysics Group 
3061 Beckman Institute
University of Illinois
405 N. Mathews Ave
Urbana, IL 61801
Phone: (217) 244-1928
Fax:   (217) 244-6078
saam_at_ks.uiuc.edu