AMBER Archive (2004)

Subject: Re: AMBER: neutral residues

From: tim (tim_at_mmb.pcb.ub.es)
Date: Mon Apr 26 2004 - 09:26:09 CDT

> Can you tell any references for calculating charges?
1.) the amber manual appendix
2.) A well-behaved electrostatic potential based method using charge
restraints for deriving atomic charges:
     the RESP model Christopher I. Bayly, Piotr Cieplak, Wendy Cornell,
Peter A. Kollman;
     J. Phys. Chem.; 1993; 97(40); 10269-10280.

regards

tim 

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