AMBER Archive (2006)

Subject: Re: AMBER: ff02 force fields

From: David A. Case (case_at_scripps.edu)
Date: Sun Oct 29 2006 - 23:17:44 CST

On Sun, Oct 29, 2006, norberto_at_ualberta.ca wrote:
>
> Do I have to obtain a new set of atomic charges for aminoacids to run
> a MD with ff02?

The charges needed for running ff02 are automatically loaded when you use
leaprc.ff02pol.r1. (These are different from non-polarizable charges, but
have already been computed when the force field was set up.)

...hope this helps...dac

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