VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Dec 22 2005 - 16:49:37 CST

Hi,
  There's a new version of APBS that was just released, which apparently
runs on Windows, but I haven't tried it yet, and I know that the config file
format has changed, so this may require a new version of VMD and the APBS
plugin for VMD in order to really use it. I'll write more on this when
I've had a chance to try it myself.

  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Dec 21, 2005 at 12:32:36PM -0600, Michel Espinoza-Fonseca wrote:
> Are you running APBS under windows? Unless you have compiled it for windows, I don't think it will work.
>
> ________________________________
>
> From: owner-vmd-l_at_ks.uiuc.edu on behalf of lily jin
> Sent: Wed 12/21/2005 12:14 PM
> To: vmd-l_at_ks.uiuc.edu
> Subject: vmd-l: how to use APBS
>
>
> I opened a pdb file 1h8e.pdb with VMD. Then I used Extensions/Analysis/APBS electrostatics
> I set the path for the files and gave all the parameters in the ELEC values window
> Then I run APBS.
> It gave me the following information:
>
> info> opened coordinate file C:/PWORK?1h8e.pqr for writing.
> apbsrun: error runing C:/Program Files/University of Illinois/VMD/plugins/noarch/tcl/apbsrun1.1/apbsrun.tcl
> apbsrun: error accured while runing APBS:
> Can't read "apbs_fd": no such variable
> info> Finished with coordinate file C:/PWORK/1h8e.pqr
>
> Can anyone tell me what is the problem? C:/PWORK is the directory I set for the files. I could see the .pqr file was generated in this folder.
> Thank you very much!
>
>
>
>
> Lily
>
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-- 
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