Dear Andrew,
> Amber ff99SB field still has the same partial scheme from Amber99,
> right? And this partial charges scheme is different from amber03,
> so I'm a bit confused about choice of the force field for proteins
> molecular dynamics.
charges of ff99SB (Hornak et al.) are these from ff99 (Amber99, Wang
et al.)/Amber98/Amber96 and Amber94 (Cornell et al.)
charges of ff03 are derive using a different approach to ff94.
Consequently, you have two different FF for proteins in the Amber 10
distribution. You will have to choose between one of these two.
regards, Francois
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Received on Tue Jul 28 2009 - 01:09:26 PDT
