[gmx-users] Qeustion on use of freeze groups for solid walls

Daejoong Kim daejoongkim at stanford.edu
Tue May 11 02:44:21 CEST 2004

Hi all.

I am trying to simulate interactions with solid walls and solvents, which I
think is kind of common. For that I want the wall to be fixed in space and I
think a "freeze group" is a right one to use. But still I want to include
van Der Waals interactions for solvent atoms due to these walls. Does the
atom within "freeze groups" can act an van der Waals interactions to any
other atoms other than the one within the same group?

Thanks in advance.

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