[gmx-users] structure alignement :g_rmsdist

[Nawel Mele]

Hi,

THanks for your answers. I already seen the help for this command but when
its write
"g_rmsdist computes the root mean square deviation of atom distances, which
has the advantage that* no fit is needed* like in standard RMS deviation as
computed by g_rms" what mean excatly "no fit is needed"??
Because when you compute a RMSD calculation its necessary to align the
structure so I am a bit confused when its write "no fit is needed".
Fit is processed directly by the command?

I am sorry I am little confused.

THanks a lot


2013/6/2 Mark Abraham <mark.j.abraham at gmail.com>

> See g_rmsdist -h
>
> Mark
>
>
> On Sun, Jun 2, 2013 at 12:29 PM, Nawel Mele <nawel.mele at gmail.com> wrote:
>
> > Hello everyone.
> >
> > During the calculation of the rms with g_rmsdist command , the reference
> > and the current structure are aligned before calculating??
> >
> > Regards,
> >
> >
> > --
> > *Mlle* Mele Nawel
> > Master 2 In Silico Drug Design
> > University of Paris Diderot/Strasbourg
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-- 
*Mlle* Mele Nawel
Master 2 In Silico Drug Design
University of Paris Diderot/Strasbourg