[gmx-users] REMD and demux.pl

Arindam Ganguly arindamganguly at gmail.com
Sun Mar 11 00:51:04 CET 2007

Hi Mark,
thanks for the prompt reply. i still have some questions.

   1. Since i have to install the new version, should i make a clean
   2. the version which i am currently using is *without* MPI, so this
   time i should be compliing or configuring it with MPI, as i understand.
   3. if i want to run it on a cluster, does all the nodes need to have
   the same distribution of Linux(i am using Suse 10.1) and also does all
   nodes need to have GROMACS installed in all of them.

i have gone through the mailing list , it looks like everyone is running it
on cluster. could you please suggest any resource or tutorial for
understanding the concepts and fundamental of running and performing
molecular dynamics calculations in a cluster computing environment. thanks
very much for your help.

Arindam Ganguly
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