[gmx-users] CGMD with cut-off Verlet? production run stage

Mark Abraham mark.j.abraham at gmail.com
Tue Jun 27 12:57:42 CEST 2017


Hi,

You should use force fields the way their designers intended them to be
used (or how they use them now). Most force fields used with GROMACS should
not be used with plain Coulomb, hence the note.

Mark

On Tue, Jun 27, 2017 at 12:49 PM Alex Mathew <alexmathewmd at gmail.com> wrote:

> Hi,
>
> Based on this mdp
> http://cgmartini.nl/images/parameters/exampleMDP/martini_v2.x_new.mdp
>
> i got NOTE
>
>
>   You are using a plain Coulomb cut-off, which might produce artifacts.
>   You might want to consider using PME electrostatics.
>
> Is this something i need to consider or just ignore?
> --
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