VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Feb 24 2005 - 10:03:15 CST
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Matteo,
The apbs.in file is the input file used to tell APBS what you want it to do.
Did APBS actually run for you, or did you get a fatal error of some sort?
Once APBS has run, you should have a .dx file in the same directory where
the .in file is. (/tmp on a Unix machine for example)
John Stone
vmd_at_ks.uiuc.edu
On Thu, Feb 24, 2005 at 04:11:19PM +0100, matteo.pennestri_at_virgilio.it wrote:
> I created the PQR file by PDB2PQR and I loaded the molecule on VMD.
> Afterwards I run APBS on vmd and it created an equivalent PQR file (the
> same of the fisrt I loaded) and a apbs.in file that I don?t known what to
> do with it.
> I didn?t find the DX created by apbs like you said.
>
> Thanks a lot
> Matteo
>
-- 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
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