vdwForceSwitching and PME

From: Adrian (adpala_at_hotmail.com)
Date: Wed Jul 24 2013 - 22:48:20 CDT

I hope this to be a fast topic.

I'm trying to incorporate (play) with several options of NAMD
configuration files, to get more efficient simulations, and I wondered this:

There's a problem (theoretical or practical) about using
vdwForceSwitching and PME simultaneously?

How great is vdwForceSwitching effect on the simulation?

Is vdwForceSwitching improving long range or short range calculations?
or it makes them faster but less accurate? (because it took more time
to minimize my system when used vdwForceSwitching, but both RMSD and
energy were smoother).

Thanks for all!

Adrian Palacios

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