Protonated Water

From: Dr. Andrea Cavalli <>
Date: Thu 16 Aug 2001 09:37:33 +0200 (MET DST)

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.


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
Received on Thu Aug 16 2001 - 00:37:33 PDT
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