This is probably more appropriate for the APBS list, but I don't have that
set up and I know the APBS folks follow this list.
When using sander.APBS to write potential files (wpot = 1) I get the
following "error" message:
Writing potential to iapbs-pot-24745.dx
Writing kappa map to iapbs-kappa.dx
/bin/mv: cannot stat `iapbs-pot.dx': No such file or directory
Presumably there is some time stamping or something here to get 24745 (the
number is different each time), and then sander.APBS makes some system call
to the hardcoded file name iapbs-pot.dx only to not find it. The output is
fine, but the extra messages to stderr/pbserr can/should presumably be
avoided.
The only "weird" thing that I am doing in my inputs is doing singlepoint
energies with "nstlim = 0" rather than "imin = 1, maxcyc = 0", which
appears to be different than the iapbs examples. Perhaps this usage mode
was not expected?
Regards,
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 :
radakb.biomaps.rutgers.edu
====================================================================
Sorry for the multiple e-mail addresses, just use the institute appropriate
address.
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Received on Tue Jun 03 2014 - 10:30:02 PDT
