Dear amber users,
I want to have trajectory file as netcdf and no mdcrd.
I will use "ioutfm=1" in in file.
And I will use following command:
mpirun -np 16 $AMBERHOME/bin/sander.MPI -O -i prod.in -o prod.out -p
comp_sol.prmtop -c equil.rst -r prod.rst -x prod.netcdf-inf prod_info
is my manner true?
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How to get/find the end time of an md simulation in amber?
Any help will highly be appreciated.
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Received on Fri Sep 23 2016 - 01:30:02 PDT
