Paymon Pirzadeh wrote:
Hello,
I have a quick question about "-shuffle" switch in grompp. Do we still
need to apply this option in 4.0.5 when we use parallel versions or
not.
There is no such option in 4.0.5. What's more, domain decomposition speeds up
the calculations more than shuffling ever did.
-Justin
regards,
Payman
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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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