Thanks, that solves the problem on my end.
Brian
On Tue, Jul 22, 2014 at 11:47 PM, Robert Konecny <rok.ucsd.edu> wrote:
> Hi Brian,
>
> you can get the actual APBS grid parameters used in the calculation by
> setting apbs_print to 2 or higher. If you want to see what APBS is using
> for the multigrid setup set apbs_debug to 1.
>
> Best,
>
> Robert
>
> On Tue, Jul 22, 2014 at 12:55:47PM -0400, Brian Radak wrote:
> > 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
> > Integrative Proteomics Room 308
> > Graduate Program in Chemical Physics : 174 Frelinghuysen Road,
> > Department of Chemistry : Piscataway, NJ
> > 08854-8066
> > radak004.umn.edu :
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--
================================ 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
Integrative Proteomics Room 308
Graduate Program in Chemical Physics : 174 Frelinghuysen Road,
Department of Chemistry : Piscataway, NJ
08854-8066
radak004.umn.edu :
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Received on Wed Jul 23 2014 - 06:00:03 PDT
