[gmx-users] Solvent error? (Mark Abraham)

[Tomasz Piskorz]

Hi,

Nicholas could you send us the solv.gro file?

Tommy


2014-08-15 15:04 GMT+02:00 Mark Abraham <mark.j.abraham at gmail.com>:

> Hi,
>
> Giving your command lines would also have been useful. As it is, I'll guess
> you were using -maxsol.
>
> Mark
>
>
> On Fri, Aug 15, 2014 at 5:32 AM, Nikolaos Michelarakis <nm884 at york.ac.uk>
> wrote:
>
> > I added them manually in the initial fws.gro file and changed the number
> on
> > top. If you see the solv.gro file, they are included, along with the
> > solvent, but for some reason, 42 less solvent atoms are added.
> >
> > Thanks,
> >
> > Nicholas
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