PME off

From: Michael Grabe (mgrabe_at_itsa.ucsf.edu)
Date: Mon Jul 05 2004 - 17:21:47 CDT

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Dear Users,

If I run a simple NAMD script with PME off, and no further
electrostatics
parameters stated, what does NAMD do? I expected the electrostatics
to be ignored, but my output file gives a value for the electrostatic
component
of the energy at every time step.

I am running ##NAMD 2.5b1 for Darwin-PPC##.

Is NAMD doing a simple pairwise calculation using the cutoff parameter
value I gave for the van der Waal parameters?
If so, can I turn this off?

Thanks,
Michael

------------------------------------------------------------------------
--------------------------
Michael Grabe, Ph.D.
HHMI/UCSF
Genetics Development & Behavioral Science Building
1550 4th Street, GD 481
San Francisco, CA 94143-0725
tel: ++ 415.476.0421
http://itsa.ucsf.edu/~mgrabe

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