lina wrote:
Hi,
are there someone love to share one md.mdp file for GPU version?
All the details are here:
http://www.gromacs.org/Downloads/Installation_Instructions/GPUs?highlight=gpu
The benchmark archive has example .mdp files that you can tweak.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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