[gmx-users] Changing md command line in a script!

Arman M. Soufiani armansoufiani at gmail.com
Fri Oct 19 13:16:47 CEST 2012


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?

Thank you in advance.

Arman



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