carnal

From: Marcela Madrid <mmadrid_at_gardel.psc.edu>
Date: Wed 1 Dec 1999 16:40:40 -0500

HI,

I am trying to read a trajectory and write out the coordinates
of the backbones only, but is not working. Does anybody know why?
(it does not accept "grp2" with COORD)
Here is my input file, analin.in:

FILES_IN
  PARM p1 prmtop;
  STREAM s1
        9.mdcrd;
FILES_OUT
  COORD c1 traj9 PDB;
DECLARE
  GROUP grp2 ( ATOM NAME C CA N O ) ;
OUTPUT
  COORD c1 grp2 ;
END


thanks, Marcela
Received on Wed Dec 01 1999 - 13:40:40 PST