[gmx-users] Re: multi cpu problem (Anton Feenstra)

Dallas Warren dallas.warren at vcp.monash.edu.au
Wed Jan 28 22:36:01 CET 2004

>    So, whether this means I only can run SD with 1 cpu?  My proteins 
> consist of 423 residues, 3431 atoms. How long it will take to do a 
> simulation of 500 ns with 1 cpu?

That depends on a lot of factors, but you aren't going to know really until 
you run it.  But you can easily get an idea by running the simulation for a 
couple of hundred ps, then simply multiply it out.  With such a small 
system though, I would be surprised if it took that long.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
When the only tool you own is a hammer, every problem begins to resemble a nail.

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