I am trying to calculate GBSA with amber10 using mm_pbsa.pl in parallel. I
have generated required snapshots. When I running the mm_pbsa.pl script for
GBSA it is giving the following error:
File SANDER is not found.
Execution of the script is done through mpiexec -n 1
$AMBERHOME/src/mm_pbsa/mm_pbsa.pl binding_energy.mmgbsa > binding.log
I have even added in the input file
.PROGRAMS
SANDER $AMBER/exe/sander.MPI
Still I am getting same error. Any insights?
mani
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 13 2011 - 21:00:03 PDT
