AMBER Archive (2001)

Subject: Protonated Water

From: Dr. Andrea Cavalli (cavan_at_alma.unibo.it)
Date: Thu Aug 16 2001 - 02:37:33 CDT

Dear amber-user,
                I am going to simulate a protein with a
suspected protonated water in the active site. Do you have
amber parameters (partial charges, VdW R and E, bond lenght
and bond lenght constant, bond angle, and bond angle constant)
for such a "non-standard" residue?

Thank you very much for any time you take in responding.

Regards,
Andrea

**************************************
Andrea Cavalli Ph.D.
University of Bologna,
Dept. of Pharmaceutical Sciences
via Belmeloro 6, I-40126 Bologna-Italy
Phone: +39-051-2099-720 Fax: -734