From: "Alessandro Mattozzi" <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <[email protected]>
To: <[email protected]>
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.
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
