Thanks for the insights, Mark.
It was a 'aprun' issue. When I remove it from the command, everything
worked out.
--
Marcelo
2015-03-13 14:10 GMT-03:00 Mark Abraham mark.j.abra...@gmail.com:
On Fri, Mar 13, 2015 at 5:46 PM, Marcelo Depólo marcelodep...@gmail.com
wrote:
Hey,
I have a
On Fri, Mar 13, 2015 at 5:46 PM, Marcelo Depólo marcelodep...@gmail.com
wrote:
Hey,
I have a python script running gmx commands (version 4.6.7) until the
following:
*if systype == 'system_1' or systype == 'system_2':genboxcommand =
aprun -n 1 genbox_mpi -cs spc216.gro -cp + prefix +
Hey,
I have a python script running gmx commands (version 4.6.7) until the
following:
*if systype == 'system_1' or systype == 'system_2':genboxcommand =
aprun -n 1 genbox_mpi -cs spc216.gro -cp + prefix + .min0.gro -p +
prefix + .top -o + prefix + .wat.gro -maxsol + str(water+ion) +
