Hi David,
I was just adding up the charge values for charged N-terminal Arg in
all_aminont94.in. They sum to 1.9764.
Best wishes,
Mike
"David A. Case" wrote:
>
> On Thu, Jul 01, 2004, Michael Dolan wrote:
> >
> > For charged N-terminal Arg, I get a total charge of:
> >
> > ff94 - 1.98
> > ff99 - 1.98
> > ff02 - 2.00
>
> How exactly are you getting these numbers? As various people have noted,
> using the "charge NARG" command in LEaP, one gets 2.0000 for all three
> force fields. Of course, there could be a mistake in some file, but we
> need to know what you are _really_ doing here.
>
> ...regards...dac
>
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Received on Thu Jul 01 2004 - 21:53:00 PDT
