AMBER Archive (2005)

Subject: AMBER: Scaling of charges in a polarizable simulation !

From: Pradipta Bandyopadhyay (pradipta_at_iitg.ernet.in)
Date: Wed Jan 19 2005 - 10:02:37 CST


If I do a MD simulation with polarizable potential where the charges are
coming from the AMBER ff99 force field I think it is recommended to scale
those charges.

My question is what could be the scaling parameter? Is 0.8 a good value?

Thanks.

    Pradipta

Dr. Pradipta Bandyopadhyay
Assistant Professor
Dept. of Biotechnology
Indian Institute of Technology, Guwahati
Phone: 91-361-258-2213 (office)
e-mail: pradipta_at_iitg.ernet.in
web: http://202.141.80.5/~pradipta/Pradipta.htm

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