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

Mark Abraham Mark.Abraham at anu.edu.au
Fri Jun 30 10:38:26 CEST 2006

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 

Then, be prepared to defend your science vigorously!


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