[AMBER] sander.APBS: automatic grid adjustments in output?

From: Brian Radak <radak004.umn.edu>
Date: Tue, 22 Jul 2014 12:55:47 -0400

I have some experience with apbs on its own, and I know that it naturally
has to adjust the grid dimensions in order to satisfy certain constraints
in order to do multigrid calculations. However, for sander.APBS the output
in mdout does not seem to reflect these changes (although some degree of
output is sent to stdout). As such, it is difficult to know after the fact
what grid apbs actually used for the calculation. Is this just a
consequence of the workflow or can this be "fixed"?

Thanks,
Brian

-- 
================================ Current Address =======================
 Brian Radak                                            :     BioMaPS
Institute for Quantitative Biology
 PhD candidate - York Research Group       :     Rutgers, The State
University of New Jersey
 University of Minnesota - Twin Cities          :     Center for
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 Graduate Program in Chemical Physics     :     174 Frelinghuysen Road,
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08854-8066
 radak004.umn.edu                                 :
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Received on Tue Jul 22 2014 - 10:00:02 PDT