CPPTRAJ: Trajectory Analysis. V15.00
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| Date/time: 11/17/15  10:59:42
| Available memory: 5455.59 MB

	Reading '../../../tip3p/ff12sb/run1/build/noWAt.topo.hmr' as Amber Topology
INPUT: Reading Input from file pt-tors.in
  [trajin ../ctraj.c3]
	Reading '../ctraj.c3' as Amber NetCDF
  [dihedral d1 out tors1.dat :1@C5' :1@C4' :1@C3' :1@O3']
    DIHEDRAL: [:1@C5']-[:1@C4']-[:1@C3']-[:1@O3']
              Output range is -180 to 180 degrees.
  [dihedral e1 out tors1.dat :1@C4' :1@C3' :1@O3' :2@P]
    DIHEDRAL: [:1@C4']-[:1@C3']-[:1@O3']-[:2@P]
              Output range is -180 to 180 degrees.
  [dihedral z1 out tors1.dat :1@C3' :1@O3' :2@P :2@O5']
    DIHEDRAL: [:1@C3']-[:1@O3']-[:2@P]-[:2@O5']
              Output range is -180 to 180 degrees.
  [dihedral a2 out tors1.dat :1@O3' :2@P :2@O5' :2@C5']
    DIHEDRAL: [:1@O3']-[:2@P]-[:2@O5']-[:2@C5']
              Output range is -180 to 180 degrees.
  [dihedral b2 out tors1.dat :2@P :2@O5' :2@C5' :2@C4']
    DIHEDRAL: [:2@P]-[:2@O5']-[:2@C5']-[:2@C4']
              Output range is -180 to 180 degrees.
  [dihedral g2 out tors1.dat :2@O5' :2@C5' :2@C4' :2@C3']
    DIHEDRAL: [:2@O5']-[:2@C5']-[:2@C4']-[:2@C3']
              Output range is -180 to 180 degrees.
  [dihedral d2' out tors1.dat :2@C5' :2@C4' :2@C3' :2@O3']
    DIHEDRAL: [:2@C5']-[:2@C4']-[:2@C3']-[:2@O3']
              Output range is -180 to 180 degrees.
---------- RUN BEGIN -------------------------------------------------

PARAMETER FILES:
 0: 'noWAt.topo.hmr', 65 atoms, 2 res, box: Orthogonal, 1 mol, 52569 frames

INPUT TRAJECTORIES:
 0: 'ctraj.c3' is a NetCDF AMBER trajectory, Parm noWAt.topo.hmr (Orthogonal box) (reading 52569 of 52569)
  Coordinate processing will occur on 52569 frames.
TIME: Run Initialization took 0.0000 seconds.

BEGIN TRAJECTORY PROCESSING:
.....................................................
ACTION SETUP FOR PARM 'noWAt.topo.hmr' (7 actions):
  0: [dihedral d1 out tors1.dat :1@C5' :1@C4' :1@C3' :1@O3']
	 [:1@C5'](1) [:1@C4'](1) [:1@C3'](1) [:1@O3'](1)
  1: [dihedral e1 out tors1.dat :1@C4' :1@C3' :1@O3' :2@P]
	 [:1@C4'](1) [:1@C3'](1) [:1@O3'](1) [:2@P](1)
  2: [dihedral z1 out tors1.dat :1@C3' :1@O3' :2@P :2@O5']
	 [:1@C3'](1) [:1@O3'](1) [:2@P](1) [:2@O5'](1)
  3: [dihedral a2 out tors1.dat :1@O3' :2@P :2@O5' :2@C5']
	 [:1@O3'](1) [:2@P](1) [:2@O5'](1) [:2@C5'](1)
  4: [dihedral b2 out tors1.dat :2@P :2@O5' :2@C5' :2@C4']
	 [:2@P](1) [:2@O5'](1) [:2@C5'](1) [:2@C4'](1)
  5: [dihedral g2 out tors1.dat :2@O5' :2@C5' :2@C4' :2@C3']
	 [:2@O5'](1) [:2@C5'](1) [:2@C4'](1) [:2@C3'](1)
  6: [dihedral d2' out tors1.dat :2@C5' :2@C4' :2@C3' :2@O3']
	 [:2@C5'](1) [:2@C4'](1) [:2@C3'](1) [:2@O3'](1)
----- ctraj.c3 (1-52569, 1) -----
 0% 10% 20% 30% 40% 50% 60% 70% 80% 90% 100% Complete.

Read 52569 frames and processed 52569 frames.
TIME: Trajectory processing: 0.1420 s
TIME: Avg. throughput= 370107.7888 frames / second.

ACTION OUTPUT:

DATASETS:
  7 data sets:
	d1 "d1" (double, torsion), size is 52569
	e1 "e1" (double, torsion), size is 52569
	z1 "z1" (double, torsion), size is 52569
	a2 "a2" (double, torsion), size is 52569
	b2 "b2" (double, torsion), size is 52569
	g2 "g2" (double, torsion), size is 52569
	d2' "d2'" (double, torsion), size is 52569

DATAFILES:
  tors1.dat (Standard Data File):  d1 e1 z1 a2 b2 g2 d2'
---------- RUN END ---------------------------------------------------
TIME: Total execution time: 0.4614 seconds.
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To cite CPPTRAJ use:
Daniel R. Roe and Thomas E. Cheatham, III, "PTRAJ and CPPTRAJ: Software for
  Processing and Analysis of Molecular Dynamics Trajectory Data". J. Chem.
  Theory Comput., 2013, 9 (7), pp 3084-3095.