[gmx-users] vdW cut-off to LJPME: Simulation crashes immediately

[Udaya Dahal]

Dear Gromacs Users,

I am trying to understand the long-range dispersion interaction between two
particles. I am trying to implement *LJPME *instead of *cut-off* for the
vdW interaction. The simulation runs fine with *vdw-type=cut-off  *but as
soon as I changed to *LJPME *the simulation crashes after a few steps. Even
decreasing the time-step to 0.5 femtoseconds doesn't lead to a stable
simulation.Has anyone encountered similar problem?

I appreciate your input. The version i am using is *gromacs-2018.3*.

Thank you,
Udaya Dahal