Re: AMBER: neutral residues

From: tim <tim.mmb.pcb.ub.es>
Date: Mon, 26 Apr 2004 16:26:09 +0200

> 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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Received on Mon Apr 26 2004 - 18:53:01 PDT