Amir Marcovitz wrote:
Hi,
Does the use of energy groups (energygrps) in the *.mdp file may cause
some slow down in the simulation running time?
Certainly not in the case of just a few groups. If you have tons of energy
terms to write, then it's possible that the disk I/O is causing some lag. This
will also depend on the frequency with which you're writing these terms.
-Justin
Thanks,
Amir
--
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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