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

From: David A. Case <>
Date: Thu, 1 Jul 2004 12:17:52 -0700

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.


The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Thu Jul 01 2004 - 20:53:01 PDT
Custom Search