[AMBER] Printing X Y Z coordinates of selected atom or group of atoms in cpptraj

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: Md Fulbabu Sk via AMBER <amber.ambermd.org>
Date: Mon, 8 Apr 2024 17:34:57 -0500

Hi AMBER Community,

I would like to calculate the Z-position of a selected residue throughout
the trajectory. Is there a way, such as using a cpptraj command, to
calculate this and print it to a text file for each frame of the MD
trajectory? I'm interested in obtaining the X, Y, Z coordinates of a
selected atom (or the average coordinates of a selected group of atoms).

Thanks

Fulbabu
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Apr 08 2024 - 16:00:01 PDT