[gmx-users] shuffle switch

[Justin A. Lemkul]

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
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
> 

-- 
========================================

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

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