From: "Alessandro Mattozzi" <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
To: "Discussion list for GROMACS users" <gmx-users@gromacs.org>
Subject: RE: [gmx-users] Compiling;Van der Waals: switch attractive term
off
Date: Mon, 3 Jul 2006 11:15:48 +0200
My idea is to do as suggested by van der Vegt in 1996JChPh.105.8849V. The
attractive part of the LJ is turn off to avoid monomers from sticking
together.
Van der Vegt is my supervisor.
I just called him to ask what he did.
Setting all C6 parameters to zero would accomplish what you want.
So you can set them to zero in the force field/topology file
or edit the code. As I said, I guess the first thing would be easier.
Berk.
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