AMBER: Is droplet boundary condition option possible ?

From: Soo <protege.snu.ac.kr>
Date: Sat, 5 Feb 2005 15:18:36 +0900 (KST)

Hi All,

I am trying to do bio-molecule simulation with GB solvation under the droplet boundary condition so that the
moleclues can stay with given distance from the center of mass. In other words, I require some artificial relfecting boundary wall.

I looked up its possibility with Amber 8 but I can not find suitable setup for this. Is this possible with Amber 8 ?
Thanaks.

Soo





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Received on Sat Feb 05 2005 - 06:52:59 PST
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