George Tsigaridas wrote:
Hi people
Do you have any suggestions on what options to use in the configure command when installing GROMACS for parallel run? Is it possible to change these options at a later time?

Besides --enable-mpi? If you want any specifics for your particular system, you'll have to describe what you're working with. And no, you can't go back and change things without completely re-installing Gromacs. Once the binaries are built, they're built based on the options you specified.

-Justin

Thank you in advance
George


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========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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