[gmx-users] Van der Waals: switch attractive term off

[Berk Hess]

>From: "Alessandro Mattozzi" <Alessandro at polymer.kth.se>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: <gmx-users at gromacs.org>
>Subject: [gmx-users] Van der Waals: switch attractive term off
>Date: Fri, 30 Jun 2006 10:14:28 +0200
>
>Hi All
>I simulate PE using AUA. I would like to switch the attractive term of the 
>vdW force. How can I do it?

Do you really want to remove the 1/r^6 term?
Or do you want to make the force zero after the LJ minimum?
In the second case you will have to use user defined tables.
The manual explains how to do this.

Berk.