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

From: Lucas Bandeira <bandeiralucas97.gmail.com>
Date: Thu, 11 Apr 2019 13:48:23 -0300

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 - 10:00:04 PDT
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