Hi Tomek –


Your first question is straightforward to answer:  you should use the mergedx program that is distributed with APBS (http://www.poissonboltzmann.org/apbs/user-guide/apbs-tools/mergedx2). 


For the second question, are you referring to the output files you generate with “write atompot”?  Would you be willing to share some examples?





Nathan Baker

Laboratory Fellow and Technical Group Manager

Applied Statistics and Computational Modeling

Pacific Northwest National Laboratory




From: Tomek Wlodarski [mailto:tomek.wlodarski@gmail.com]
Sent: Monday, February 17, 2014 9:11 AM
To: apbs-users@googlegroups.com
Subject: [apbs-users] merge atompot flat file




I am using atompot flag for my run with 4 cores.

I end up with 4 txt files. My question is how I should merge those files into one?

I noticed that some atoms have non zero value in mor than one file - so should I add this values to get proper electrostatic potential on this atom?