[gmx-users] g(r)

[Sanket Ghawali]

On Wed, Mar 22, 2017 at 4:30 PM, <
gromacs.org_gmx-users-request at maillist.sys.kth.se> wrote:

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>    1. g(r) (Sanket Ghawali)
>    2. Re: g(r) (Mark Abraham)
>    3. Re: core dumped during equilibration in gromacs (Mark Abraham)
>    4. ORCA Gromacs QM/MM geometry optimization (Jim-Martin Bachmann)
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> Message: 1
> Date: Wed, 22 Mar 2017 16:02:36 +0530
> From: Sanket Ghawali <sanket.ghawali at gmail.com>
> To: gmx-users at gromacs.org
> Subject: [gmx-users] g(r)
> Message-ID:
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> Content-Type: text/plain; charset=UTF-8
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> Dear all
>
> Hello,
>
> Please let me know what is the unit of g(r) (nm or A) in the radial
> distribution function
> output(rdf.xvg) of the program g_rdf in gromacs. As the output shows no
> units.
>
> --
> Sanket B Ghawali
> Junior Research Fellow
> ICMR-Biomedical Informatics Centre
> National Institute for Research in Reproductive Health
> Parel, Mumbai.
>
>
> ------------------------------
>
> Message: 2
> Date: Wed, 22 Mar 2017 10:40:03 +0000
> From: Mark Abraham <mark.j.abraham at gmail.com>
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] g(r)
> Message-ID:
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> mail.gmail.com>
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>
> Hi,
>
> The default unit is nm, as noted in chapter 2 of the reference manual for a
> long time. Even the rdf tool has labelled the X axis with nm since at least
> version 5.1, so you might want to consider using a more recent version.
>
> Mark
>
> On Wed, Mar 22, 2017 at 11:32 AM Sanket Ghawali <sanket.ghawali at gmail.com>
> wrote:
>
> > Dear all
> >
> > Hello,
> >
> > Please let me know what is the unit of g(r) (nm or A) in the radial
> > distribution function
> > output(rdf.xvg) of the program g_rdf in gromacs. As the output shows no
> > units.
> >
> > --
> > Sanket B Ghawali
> > Junior Research Fellow
> > ICMR-Biomedical Informatics Centre
> > National Institute for Research in Reproductive Health
> > Parel, Mumbai.
> > --
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> End of gromacs.org_gmx-users Digest, Vol 155, Issue 104
> *******************************************************
>

Thank you Mark but i want to know the unit of g(r), the y axis of a rdf
plot.
Does g(r) has any unit assigned to it.

-- 
Sanket B Ghawali
Junior Research Fellow
ICMR-Biomedical Informatics Centre
National Institute for Research in Reproductive Health
Parel, Mumbai.