On 10/19/12 7:16 AM, Arman M. Soufiani wrote:
Dear all,
A simple question.
I want to change the md command line in a script. I want to prevent my
script to lead the simulation on parallel nodes. By this I mean I want to
run it on one CPU. I do not know where I should embed the flag -nt=1 in that
command lien.
I wonder the following is the md command? If yes, how it will become when
adding -nt=1 to it?
Like any mdrun options, the argument can appear anywhere on the mdrun command
line, i.e.:
mdrun -nt 1 -s md.tpr
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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