[gmx-users] shift the LJ potential

[Mark Abraham]

Hi,

Shifting the potential doesn't affect the sampling - only the forces do.
How does that affect what you're thinking of?

Mark

On Mon, Oct 9, 2017 at 3:14 PM Faezeh Pousaneh <fpoosaneh at gmail.com> wrote:

> Hi,
>
> 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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