Dear amber users,
There is a troublesome problem which hinder me for a long time and i am eager for your kind help.
Two Zinc ions was embedded in the protein which i want to simulate with AMBER, the one Zinc ion coordinated with 3 HIS,and the other one coordinated with HIS ,CYS ,ASP and a structure water molecule.
Unfortunately, i didn't find the corresponding parameters could be used in AMBER for these two protein-metal coordination system after i searched through our Mailing List and consulted the related papers. As a beginner for AMBER, i have litter idea for how to get or develop these parameters properly. So could someone be so kindly to give me some helpful guide for this tough problem? Or could someone have the similar experience and have developed these parameters could be used in AMBER ff?
Any suggestions will be greatly appreciated! Thanks everyone in advance!
Best regards!
Kongkai Zhu
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Received on Wed Sep 14 2011 - 20:00:02 PDT
