[gmx-users] NMA in vaccum or water?

Ruben Martinez Buey ruben at akilonia.cib.csic.es
Thu Feb 27 06:23:30 CET 2003

> Hi David,

Thanks al ot for your reply,

> >
> > OK, but how can I do that (a water shell with 1-2 layers of water molecules (and
> > internal waters))?
> genbox -shell XXX

Have I to generate a box previously with editconf??
If I want only an external layer of water, what value for XXX should I enter?
Thanks in advance,
with best wishes

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