[AMBER] Tin-foil boundary condition

From: kurisaki ikuo <kurisaki.fc.ritsumei.ac.jp>
Date: Thu, 09 Dec 2010 13:51:14 +0900 (JST)

Dear Amber developers and users

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

I would like to ask whether the Tin-foil boundary condition is employed by default when Particle Mesh Ewald is used for net-charged system (e.g. Na+ and water molecules).

I cannot the answer in the Amber manual but according to previous discussion in this mailing-list,

http://archive.ambermd.org/200504/0329.html
http://archive.ambermd.org/200712/0223.html

it seems that Tin-foil boundary condition is employed.

Best Regard,

                                            Ikuo Kurisaki

ps:
We are using Amber9 or later versions.



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E-mail: kurisaki.fc.ritsumei.ac.jp

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Received on Wed Dec 08 2010 - 21:00:06 PST
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