AMBER Archive (2009)
Subject: Re: [AMBER] Iron 2+ parameters
From: Syed Tarique Moin (tarisyed_at_yahoo.com)
It requires a lot of calculations. You need to develop force field parameters for this particular system. Developing this parameter, you need to read literature.This involve the quantum calculations including optimization and charge calculations.
--- On Mon, 2/16/09, Hrvoje BrkiŠ <hbrkic_at_mefos.hr> wrote:
Does ayone know parameters of Fe2+ ion coordinated with 2 histidines,