.nc is the extension used by the Amber netcdf binary trajectory format. See
the cpptraj manual for all available output trajectory formats.
-Dan
On Thu, Sep 19, 2019 at 10:14 AM Hadi Rahmaninejad <ha.rahmaani.gmail.com>
wrote:
> Hi Daniel,
>
> Then is the .nc file in binary format?
>
> Thanks,
> Hadi
>
> On Thu, Sep 19, 2019 at 6:55 AM Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
> > Hi,
> >
> > parm <topology file>
> > trajin <trajectory file>
> > strip !(<mask selecting methane>)
> > trajout mytraj.nc
> >
> > Notice the “not” (!) in the mask to ‘strip’ effectively changes it to
> > “keep”.
> >
> > Hope this helps,
> >
> > -Dan
> >
> > On Thu, Sep 19, 2019 at 12:05 AM Hadi Rahmaninejad <
> ha.rahmaani.gmail.com>
> > wrote:
> >
> > > Hello Amber Users,
> > >
> > > I hope you are doing well. I am trying to extract coordinate (x,y,z)
> data
> > > as a function of time of a projectile (a Methane molecule) from my
> > > trajectory data of my gromacs trajectory file (actually it doesn't
> matter
> > > as it can act like an amber trajectory file). Is there any function in
> > > Cpptraj that can do this for me? I used to do this in vmd, but I prefer
> > to
> > > do in Cpptraj as every thing in cpptraj is quicker (and more
> reliable). I
> > > highly appreciate if anybody can help me with this,
> > >
> > > Best,
> > > Hadi
> > > _______________________________________________
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> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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Received on Thu Sep 19 2019 - 11:30:02 PDT
