[gmx-users] grompp in GROMACS 4

edmund lee eyemnoob2008 at hotmail.com
Thu Feb 4 04:42:19 CET 2010


Dear all,

I am new in Gromacs 4.0.7  before this I was using the GROMACS 3.3.3.....
I have some doubt in the grompp commands when i want to run in parallel

In Gromacs 3, I just use:

grompp_mpi -v -f  _ _ _   -np 4
then,

mdrun_mpi -v -f -deffnm -np 4

but in Gromacs 4, I cant use 4 nodes in grompp in order to prepare tpr file for 4 nodes to be used in mdrun_mpi....
there is no option -np in grompp and grompp_mpi

Is it there is change in the command?

or is due to other problems?

THANKS.....
 		 	   		  
_________________________________________________________________
Your E-mail and More On-the-Go. Get Windows Live Hotmail Free.
https://signup.live.com/signup.aspx?id=60969
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100204/73cccc83/attachment.html>


More information about the gromacs.org_gmx-users mailing list