[gmx-users] cutoff-scheme=Verlet

Dries Van Rompaey dries.vanrompaey at gmail.com
Sat Feb 20 19:18:09 CET 2016


You might want to read this:

Basically, in the past Gromacs kept track of interactions through the group
scheme (which made use of charge groups). The more recent verlet scheme
doesn't use charge groups - that's what that line is telling you.

It's not an error, nor does it mean that your charges are being removed.
The link above (or the gromacs manual) should help clarify things.

On 20 Feb 2016 5:29 p.m., "Alexander Alexander" <alexanderwien2k at gmail.com>

> Dear Gromacs user,
> In my NVT simulation, I user the Verlet as cutoff-scheme, but below note
> comes up in screen while .tpr generation;
> "Removing all charge groups because cutoff-scheme=Verlet"
> Does it mean that the atoms which I have indicated a charge for them in
> .top file will be removed? or what ..
> Also, how serious is this massage?
> Thanks.
> Cheers,
> Alex
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