Hi,
On Mon, Oct 9, 2017 at 5:26 PM Faezeh Pousaneh wrote:
> Hi Mark,
>
> I have a given function for pseudo hard-sphere potential,
There's no ability for GROMACS to support a true hard-sphere potential,
because for such potentials the force is always zero or undefined.
which has
> different p
Hi Mark,
I have a given function for pseudo hard-sphere potential, which has
different powers than LJ and a constant. I have to insert the constant in
order to properly define the cut-off for my hard spheres.
I just realized that I can use "user-specified potential". I guess I can
include the cons
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 wrote:
> Hi,
>
> I would like to shift the LJ interaction between my particle by a constant,
> (to remove attraction),
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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