[gmx-users] shift the LJ potential
mark.j.abraham at gmail.com
Mon Oct 9 15:44:02 CEST 2017
Shifting the potential doesn't affect the sampling - only the forces do.
How does that affect what you're thinking of?
On Mon, Oct 9, 2017 at 3:14 PM Faezeh Pousaneh <fpoosaneh at gmail.com> wrote:
> I would like to shift the LJ interaction between my particle by a constant,
> (to remove attraction), how can I change the function?
> Best regards
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