question switching function

From: Peter Kiss (kisspeter1004_at_gmail.com)
Date: Thu Nov 15 2007 - 12:12:08 CST

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Dear NAMD users,

I'm newbie in NAMD and i have a question.
I recognized that in NAMD we can set up a lot of parameters in the nonbonded
interacton calculations.
If i would like to use NAMD with AMBER forcefiled it is receommended to use
the following setup:
switching off ('in namd user's guide: However, if ``authentic'' AMBER cutoff
simulations are desired, the switching functions could be turned off by
specifying ``switching off'' in NAMD configuration file.')
or we can set up the switching function like this:
switching on
switchdist 8
cutoff 10

thank you for your help in advance
Peter Kis

• Next message: Ahlam Al-Rawi: "Using NAMD DCD in CHARMM"
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