VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Nov 07 2006 - 15:34:33 CST

Hi,
  Could you provide a zipped or gzipped copy of some example files
for us to look at? There may be subtle differences in the log file
format that prevent the current version of the GAMESS plugin from
being able to read these. If the log files are too big to email,
please deposit them in a new directory within the testfiles area
of the VMD Public project on biocore:
  http://www.ks.uiuc.edu/Research/vmd/alpha/

Once we have some of the files we'll take a look and see what we
can determine.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Nov 07, 2006 at 03:00:58PM +0800, mashaojie163 wrote:
> Dear Sir:
> Now I use PCGamess to do DFT calculation. PCGamess have better performence than Gamess. Howerver, I find I can not load the output files from PCGamess correctly.
> **************************************************
> Shaojie Ma
> Institute of Nano Science
> Nanjing University of Aeronautics and Astronautics
> mashaojie_at_nuaa.edu.cn
> Nanjing 210016, China
> ************************************************** 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078