Hi,
a larger cutoff would make the simulation slower. As the exact amount
depends on your system and hardware, the easiest thing to do would be to
just run 500 steps at cut=8 and at cut=10 and then compare the runtimes...
Regards,
Thomas
On Fri, May 4, 2012 1:16 am, pooja chahal wrote:
> Dear sir/ma'am,
> I have a query regarding the cut-off value for non-bonded interactions in
> MD simulation. I wanted to know what will be the effect on the speed of
> simulation with the increase in cut-off value. If I increse cut-off value
> from 8 to 10 then what will be the change in speed of run?
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Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Fri May 04 2012 - 00:30:03 PDT
