On Thu, Jul 14, 2005, Ray Luo wrote:
>
> >
> 1. ff99 bond and angle terms. This set of terms has been shown in the UA
> paper to a deliver similar agreement to the d3lyp frequencies for a
> tested system as the original ff99;
> 2. ff03aa charging scheme;
> 3. ff03aa main chain torsions;
> 4. side chain torsions are refitted because of the new united atom types
> and of course new charges.
Thanks! I think it should be called ff03ua. Especially since Yong
already
has deposited an "ff05" force field that is polarizable (and hence quite
different from yours.
...dave
Received on Wed Apr 05 2006 - 23:49:54 PDT
