# Re: [AMBER] Problem calculating water mass density over distance

From: Gerardo Zerbetto De Palma <g.zerbetto.gmail.com>
Date: Thu, 11 Apr 2019 11:54:08 -0300

Just to try, check number density instead of mass density, just to see if
the value is compatible with the mass density result (given that units are
in AMU/A3)
Regards!
Gera!

El jue., 11 abr. 2019 a las 13:49, Lucas Bandeira (<
bandeiralucas97.gmail.com>) escribió:

> Yes. Cpptraj uses Angstroms as default units, right?
>
> Sincerely,
>
> Lucas Bandeira
>
>
> On Thu, Apr 11, 2019 at 1:38 PM Gerardo Zerbetto De Palma <
> g.zerbetto.gmail.com> wrote:
>
> > Are you sure that volume units are A3 and not nm3?
> > Regards!
> > Gera
> >
> > El jue., 11 de abr. de 2019 13:09, Lucas Bandeira <
> > bandeiralucas97.gmail.com>
> > escribió:
> >
> > > Sorry,
> > >
> > > Now with the attachment.
> > >
> > > Sincerely,
> > >
> > > Lucas Bandeira
> > >
> > > On Thu, Apr 11, 2019 at 1:05 PM Gerardo Zerbetto De Palma <
> > > g.zerbetto.gmail.com> wrote:
> > >
> > > > Hi! I can see no attachment.
> > > > Regards
> > > > Gera
> > > >
> > > > El jue., 11 de abr. de 2019 13:01, Lucas Bandeira <
> > > > bandeiralucas97.gmail.com>
> > > > escribió:
> > > >
> > > > > Dear AMBER Community,
> > > > >
> > > > > I'm trying to calculate water density from the chart attached. I'm
> > > taking
> > > > > into account the region between 35 and 50 angstroms (X axis) which
> I
> > > > think
> > > > > this represents the bulk behaviour of the water. When I convert the
> > > > density
> > > > > (Y axis) from amu/(Angstroms)³ to g/cm³ I obtain a value 1000
> higher
> > > > (1000
> > > > > g/cm³). Could anyone help me with this problem? Is there something
> > that
> > > > I'm
> > > > > missing?
> > > > >
> > > > > Sincerely,
> > > > >
> > > > > Lucas Bandeira
> > > > > _______________________________________________
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Received on Thu Apr 11 2019 - 11:00:02 PDT
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