On Thu, Jul 14, 2005, Ray Luo wrote:
>
> The new Amber UA force field is ready to be checked in, but I'm not sure
> what file name we should use. Do we call it ff05ua? or ff03ua to be
> consistent with its AA counterpart?
>
Basically, I agree with Carlos that if should be called ff03ua if it is
really a "counterpart" to ff03.
Can you describe the extent to which the new ua force field is the
"counterpart" to ff03 itself? My understanding is that:
ff03 = ff99 + new charges for amino acids
+ a few changes in backbone torsions
Is there a similar "simple" way to describe the new ua parameters?
...thx...dac
Received on Wed Apr 05 2006 - 23:49:54 PDT
