AMBER Archive (2004)

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

From: Michael Dolan (mdolan_at_tripos.com)
Date: Wed Jun 30 2004 - 16:08:15 CDT

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.
Customer Support Scientist
Tripos, Inc.
St. Louis, MO 63144  USA

Telephone: 1(800)323-2960
http://www.tripos.com

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