Hi Lane –

 

You should be able to load a dummy molecule to circumvent this issue.

 

Andrew, can you please add this to the JIRA list of future APBS features?

 

Thanks,

 

 

--

Nathan Baker

Laboratory Fellow

Pacific Northwest National Laboratory

+1-509-375-3997

http://www.linkedin.com/in/nathanandrewbaker/

 

From: Lane Votapka [mailto:lvotapka100@gmail.com]
Sent: Tuesday, October 08, 2013 2:50 PM
To: apbs-users@lists.sourceforge.net
Subject: [apbs-users] loading my own charge, kappa, diel meshes

 

Hello APBS users/developers,

I'm trying to use APBS to run after loading in custom kappa, dielx/y/z, and charge meshes. I don't have a molecule to load because I only want it to use the meshes I've given it. How can I run APBS so it doesn't need a PQR or PDB file to run the electrostatics.

Best,

-Lane