[gmx-users] rlist

Mark Abraham mark.j.abraham at gmail.com
Tue Jan 16 12:57:40 CET 2018


That depends on what model you want to implement - rlist sets the radius
within which particles/groups will be placed in the neighbour list. There's
further requirements based on the other elements of the simulation with
which it has to interact, so for user tables, the group scheme is needed,
which means you won't have both an efficient simulation and a buffered list.

If you're still trying to implement hard spheres with GROMACS, then as (I
think) I've said before, you should consider alternative software (not that
I have any insight about what might work better).


On Mon, Jan 15, 2018 at 11:26 AM Faezeh Pousaneh <fpoosaneh at gmail.com>

> Hi,
> I have a user-potential for vdw and coulomb (PME-user). I use vdW and
> columnb cutoffs= 0.3 and 0.5 respectively. What should be the value of
> rlist?
> sorry, I could not find in manual.
> Best regards
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