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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Sep 19 2019 - 04:00:01 PDT
