RE: setting up namd simulation in IBM Blue Gene/L

Date: Wed Dec 17 2014 - 07:07:23 CST

It's unclear what you are asking. The setup (and the choice of a particular for force field) should be all the same across different platforms. Are you asking how to run NAMD in parallel on that machine?

One problem which NAMD on the BlueGenes (L and P at least) is larger system can't be run because of the small memory size (if memory serves well it was a problem with load balancing needed ample memory or so).


From: [] on behalf of Santosh Kumar Chaudhary []
Sent: 17 December 2014 12:21
To: NAMD list
Subject: namd-l: setting up namd simulation in IBM Blue Gene/L

Dear All,

I want to set-up NAMD simulation with amber forcefield in BlueGene. There
are very less information on web to set up NAMD in bluegene. Please guide
me in this.

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