Correction to last email:
For charged N-terminal Arg, I get a total charge of:
ff94 - 1.98
ff99 - 1.98
ff02 - 2.00
Something is not right here. Sorry for the mistake in the previous
email.
Mike
Guanglei Cui wrote:
>
> What version of amber are you using? For amber8, "charge NARG" gives me
> 2.00 ...
>
> Guanglei
>
> Michael Dolan wrote:
>
> > Hello Ambers,
> >
> > I've noticed that the total charge for a charged N-terminal Arginine is
> > 0.9764. Can someone explain why it is not 1.00? The total charge of the
> > Arg and it's terminal blocking group is 1.9764.
> >
> > Thank you,
> >
> > Mike
> >
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Michael A. Dolan, Ph.D.
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Received on Thu Jul 01 2004 - 20:53:00 PDT
