AMBER Archive (2005)

Subject: Re: AMBER: Is droplet boundary condition option possible ?

From: David A. Case (case_at_scripps.edu)
Date: Sat Feb 05 2005 - 12:53:53 CST

On Sat, Feb 05, 2005, Soo wrote:
>
> 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.

Sounds like the "water cap" option is what you want. See p. 106 of the
manual.

...dac

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