[gmx-developers] Gromacs

Michael Bajomo bajomo at gmail.com
Thu Jul 14 12:07:54 CEST 2005


Hi Guys,
 Sorry to sound like a green horn but I need help on the following 
execution:
 1. Feed mdrun input files i.e. '.tpr' files, from a server to each node on 
a cluster.
 2. Take the output files i.e. the trajectory files, from each node and then 
send them back to the server to be processed.
=================================================
I am thinking about using MPI instead of TCP/IP, is this a good idea? How 
would I set up Gromacs for this? 
 Kind regards
 Mike
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