AMBER Archive (2008)

Subject: AMBER: Switching function in NAMD

From: musa özboyacı (musaozboyaci_at_gmail.com)
Date: Tue Dec 23 2008 - 13:52:37 CST

Dear all,
I am trying to simulate a system using NAMD with AMBER force field. I have
just realized that, I had turned on switching function and defined a
switching distance. Since, for AMBER does not use such switching functions,
does this function change my results? and, should I simply give an end to my
simulations and restart them? I am going to perform some energy calculations
after these simulations so, does this function make my results unreliable?
Any help is appreciated, thanks in advance!

Musa Ozboyaci
Koc University
Computational Sciences and Engineering

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