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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> >
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Received on Thu Sep 19 2019 - 07:30:03 PDT
