On Sun, Oct 29, 2006, norberto.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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Nov 01 2006 - 06:07:10 PST
