Subject: ATP-Mg2+ CHARMM

From: "Danilo Gonzalez" <[email-masked]>
Date: Mon, 9 Dec 2002 14:22:47 -0300

Hi all,

Somebody have some good tips for set the parameter of complex ATP-Mg2+
in charmm?
Charmm27 have some parameters for ATP, but,.. how I can make the bond
between Mg and the Oxygens of ATP and the waters coordinated?, 

Thanks a lot for any help.

Best regards,

Dr. Danilo Gonzalez

University of Santiago of Chile
Faculty of Chemistry and Biology
Casilla 40, Correo 33,
Santiago - Chile.