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

From: Gerardo Zerbetto De Palma <g.zerbetto.gmail.com>
Date: Thu, 11 Apr 2019 13:37:30 -0300

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 - 10:00:03 PDT
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