AMBER Archive (2001)

Subject: Re: Following Coordinates

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Wed Apr 04 2001 - 19:24:54 CDT

        What is the most straight forward way to get the coordinates of
        a selected subset of atoms.
 
Use carnal with a GROUP in OUTPUT COORD. Maybe ptraj does
this too..
 
        Is this most easily performed post dynamics or is there a
        way to dump the coordinates during the simulation?
 
It could be implemented.
 
Bill Ross