[AMBER] Forcefield for transition metals

From: Kshatresh Dutta Dubey <kshatresh.gmail.com>
Date: Wed, 26 Feb 2014 23:39:46 +0200

Dear Amber users,

I have to perform MD simulations for Haem containing protein, and I also
want to account the charge effect during the dynamics. I am a bit confused
during the use of forcefield for such type of simulations. Should I use
polarizable forcefield such as ff02 otherwise ff12SB is sufficient? I
will appreciate your suggestion in this regard.
Thanks in advance.

-- 
With best regards
************************************************************************************************
Dr. Kshatresh Dutta Dubey
Post Doctoral Researcher,
c/o Prof Sason Shaik,
Hebrew University of Jerusalem, Israel
Jerusalem, Israel
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Received on Wed Feb 26 2014 - 14:00:02 PST