Re: What's the difference between upperboundary and upperwall?

From: Giacomo Fiorin (
Date: Mon Dec 03 2012 - 16:38:07 CST

upperboundary defines the grid onto which certain quantities are
accumulated (e.g. probability). It also defines the position of the
confining wall if the force constant is positive.

If you want to make the position of the wall different from the grid's
boundary, add the upperwall keyword. Otherwise, you don't need to use it.


On Mon, Dec 3, 2012 at 5:34 PM, DAI, JIAN <> wrote:

> Dear all:
> Can someone tell me the difference between these two parameters and what
> is the actual consequence of changing these parameters? For example,
> constraining a distance using
> upperboundary 6.0 and
> upperwall 6.0
> what is the difference?
> Thank you.
> Jian

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