Re: [AMBER] how to develop parameter for organotin

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From: FyD <fyd.q4md-forcefieldtools.org>
Date: Wed, 28 Jul 2010 10:51:35 +0200

Dear Shulin,

> I'd like to use Amber to simulate a protein which has a organotin ligand,
> however, after exhausive searching, I did not find any parameter for
> organotin? Does any one has the parameter or dealing with developing the
> parameters? Great thanks.

You could try to adapt R.E.D.-III.4 as described .
http://lists.q4md-forcefieldtools.org/wws/arc/q4md-fft/2010-06/msg00009.html

regards, Francois

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Received on Wed Jul 28 2010 - 02:00:03 PDT