CPPTRAJ: Trajectory Analysis. V16.00b
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| Date/time: 12/04/15 16:12:54
| Available memory: 1184.25 MB

	Reading '../../../tip3p/ff12sb/run1/build/noWAt.topo.hmr' as Amber Topology
INPUT: Reading Input from file pt-tors.in
  [trajin ../ctraj.c0]
	Reading '../ctraj.c0' 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, 67 atoms, 2 res, box: Orthogonal, 1 mol

INPUT TRAJECTORIES:
 0: 'ctraj.c0' is a NetCDF AMBER trajectory, Parm noWAt.topo.hmr (Orthogonal box) (reading 203546 of 203546)
  Coordinate processing will occur on 203546 frames.
TIME: Run Initialization took 0.0001 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.c0 (1-203546, 1) -----
 0% 10% 20% 30% 40% 50% 60% 70% 80% 90% 100% Complete.

Read 203546 frames and processed 203546 frames.
TIME: Trajectory processing: 0.7059 s
TIME: Avg. throughput= 288368.0076 frames / second.

ACTION OUTPUT:

DATASETS:
  8 data sets:
	noWAt.topo.hmr "noWAt.topo.hmr" (topology), size is 67 noWAt.topo.hmr, 67 atoms, 2 res, box: Orthogonal, 1 mol
	d1 "d1" (double, torsion), size is 203546
	e1 "e1" (double, torsion), size is 203546
	z1 "z1" (double, torsion), size is 203546
	a2 "a2" (double, torsion), size is 203546
	b2 "b2" (double, torsion), size is 203546
	g2 "g2" (double, torsion), size is 203546
	d2' "d2'" (double, torsion), size is 203546

DATAFILES:
  tors1.dat (Standard Data File):  d1 e1 z1 a2 b2 g2 d2'
---------- RUN END ---------------------------------------------------
TIME: Total execution time: 2.4651 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.