VMD-L Mailing List

From: Kirby Vandivort (kvandivo_at_ks.uiuc.edu)
Date: Mon Sep 14 2009 - 14:16:24 CDT

wuxiao wrote:
> Dear VMDers,
> I try to use the CGTools to convert the all-atom model to the
> corresponding CG model. Only to find some errors are given: atom select:
> cannot parse selection text....
> Can this be due to the format of cgc file? Or is the psf file needed
> for running the CGTools?
> Thank you for any reply to this post.

Hello,

If you could provide more information, that would be very helpful in diagnosing
the problem you are seeing.

Are you trying to do shape based, or residue based?
What molecule are you working with?
Any other relevant info you can provide?

Thanks, 

-- 
Kirby Vandivort                      Theoretical and
Senior Research Programmer            Computational Biophysics
Email: kvandivo_at_ks.uiuc.edu          3061 Beckman Institute
http://www.ks.uiuc.edu/~kvandivo/    University of Illinois
Phone: (217) 244-1928                405 N. Mathews Ave
Fax  : (217) 244-6078                Urbana, IL  61801, USA