AMBER Archive (2004)

Subject: Re: AMBER: N-terminal Arg charges in ff99 not 1.00

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Wed Jun 30 2004 - 16:13:55 CDT

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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