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

[Mark Abraham]

Alessandro Mattozzi wrote:
> Hi All
> I simulate PE using AUA. I would like to switch the attractive term of 
> the vdW force. How can I do it?

By reading the relevant parts of the manual and working out how LJ terms 
are implemented and adjusting your topology and/or forcefield files 
accordingly.

Then, be prepared to defend your science vigorously!

Mark