[AMBER] Are there polarized ion models in Amber?

From: kurisaki ikuo <kurisaki.fc.ritsumei.ac.jp>
Date: Tue, 14 Dec 2010 10:55:22 +0900 (JST)

Dear Amber developers and users,

I am Ikuo Kurisaki, a post doctoral fellow in Japan.

I would like to ask force field parameter of ion.
I recongnize that all the force field parameter of ion
prepared in Amber Package are single point and are non-polarizable models.

When I checked several leap files and lib files,
I found that
FF02.pol force field is polarized variant of ff99 but did not employed polarizable ion models
and AMOEBA force field did not support anion and cation parameters at the moment.

If there is some polarizable model of ion in Amber,
I am most grateful for your suggestions.

Best Regard,

                                            Ikuo Kurisaki


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Received on Mon Dec 13 2010 - 18:00:03 PST
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