[gmx-users] REMD and demux.pl
arindamganguly at gmail.com
Sun Mar 11 00:51:04 CET 2007
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.
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