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?






Nathan Baker

Laboratory Fellow

Pacific Northwest National Laboratory




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.