VMD-L Mailing List

From: Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Wed Dec 21 2005 - 12:32:36 CST

Are you running APBS under windows? Unless you have compiled it for windows, I don't think it will work.

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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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