I would wrote a script that loops over frames, using the loop variable to
select frame number in trajin (trajin mytraj.nc $a $a) and then use the
same variable in the output (distmat.$a.out). There may be other ways but
this should do what you want.
On Mon, Mar 6, 2023, 11:51 PM Dulal Mondal via AMBER <amber.ambermd.org>
wrote:
> Dear Experts,
>
> Please give me some sugatation.
>
> Thanking you in advance
>
> ---------- Forwarded message ---------
> From: Dulal Mondal <babunmondal.chem.kgpian.iitkgp.ac.in>
> Date: Sun, Mar 5, 2023 at 10:32 AM
> Subject: Distance matrix
> To: <amber.ambermd.org>
>
>
> *Dear Users,*
>
>
> *I have a trajectory file which contains 200000 frames. I am trying to
> calculate distance matrix for each frame using the command *
>
>
>
> *matrix dist .CA out distmat.dat*
>
>
>
> *But it gives one N X N matrix.How can I generate a distance matrix
> for each frame?*
>
>
>
> *Thanking you*
>
>
>
> *With regards*
>
> *Dulal Mondal*
> _______________________________________________
> 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 Tue Mar 07 2023 - 04:00:04 PST
