Chitrita Dutta Roy wrote:
Thanks to all for helping me previously.
Now i am unable to arrange the .tpr file for position restraint mdrun on
a quad core as in version 4.0.2 grompp -np is not a valid comand can
anybody help me in building a tpr file for parallel run on 4 cores of a
quad core machine .I have installed gromacs using Open MPI Library and
my files are suffixed as _mpi.
There is no need for grompp -np in 4.0 and above, as has been discussed several
times on this list. Then execute mdrun as usual.
-Justin
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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