Switching function while using AMBER force field

From: Sneha Menon (sneha.menon15_at_gmail.com)
Date: Thu Dec 20 2012 - 00:06:25 CST

Dear all,

I am running a NAMD simulaton using AMBER force field. I have a query
regarding the 'switching function' parameter in the NAMD configuration
file. In the NAMD User Guide, it is mentioned that 'NAMD applies switching
functions to the non-bond interactions within the cut- off distance, which
helps to improve energy conservation, while AMBER does not use switching
functions so it simply truncates the interactions at cutoff. However, if
authentic AMBER cutoff simulations are desired, the switching functions
could be turned off by specifying switching off in NAMD configuration
file.'
I would like to know what are the implications of running the simulation
with the the switching function 'on' and the same as 'off'; as far as
running NAMD simulation using the AMBER force field is concerned?

Thank you.

Regards,
Sneha Menon

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