[gmx-users] How many ps needs a simulation?

jahanshah ashkani ashkani_2003 at yahoo.com
Thu May 11 04:29:26 CEST 2006

  In fact I have a sequence with 1277 residue. It is stable even in 50ps. But when I continue to simulation my pc is restarted in 40000 steps, automaticly. I should say that this step needs about 100 h time.

"Dallas B. Warren" <Dallas.Warren at vcp.monash.edu.au> wrote:
  >How many ps needs a simulation?

How long is a piece of string?

Seriously though, depends on what you are trying to observe and

Also check the literature to see what is currently being done with
similar systems and properties.

"Typically" it will be at least an order of magnitude longer than the
process you wish to observe. But what is possible and what you want can
be very too different things.

Catch ya,

Dr. Dallas Warren
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 9524
When the only tool you own is a hammer, every problem begins to resemble
a nail. 
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