CPPTRAJ: Trajectory Analysis. V16.00b
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| Date/time: 06/03/16 10:44:40
| Available memory: 1.214 GB

	Reading '../../../tip3p/ff12sb/run1/build/noWAt.topo.hmr' as Amber Topology
INPUT: Reading input from 'pt-tors.in'
  [trajin ../ctraj.c2]
	Reading '../ctraj.c2' 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 (1 total):
 0: noWAt.topo.hmr, 63 atoms, 2 res, box: Orthogonal, 1 mol

INPUT TRAJECTORIES (1 total):
 0: 'ctraj.c2' is a NetCDF AMBER trajectory, Parm noWAt.topo.hmr (Orthogonal box) (reading 129042 of 129042)
  Coordinate processing will occur on 129042 frames.

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.c2 (1-129042, 1) -----
 0% 10% 20% 30% 40% 50% 60% 70% 80% 90% 100% Complete.

Read 129042 frames and processed 129042 frames.
TIME: Avg. throughput= 376601.1283 frames / second.

ACTION OUTPUT:

DATASETS (7 total):
	d1 "d1" (double, torsion), size is 129042
	e1 "e1" (double, torsion), size is 129042
	z1 "z1" (double, torsion), size is 129042
	a2 "a2" (double, torsion), size is 129042
	b2 "b2" (double, torsion), size is 129042
	g2 "g2" (double, torsion), size is 129042
	d2' "d2'" (double, torsion), size is 129042

DATAFILES (1 total):
  tors1.dat (Standard Data File):  d1 e1 z1 a2 b2 g2 d2'

RUN TIMING:
TIME:		Init               : 0.0000 s (  0.00%)
TIME:		Trajectory Process : 0.3426 s ( 25.85%)
TIME:		Action Post        : 0.0000 s (  0.00%)
TIME:		Analysis           : 0.0000 s (  0.00%)
TIME:		Data File Write    : 0.9830 s ( 74.15%)
TIME:		Other              : 0.0000 s (  0.00%)
TIME:	Run Total 1.3258 s
---------- RUN END ---------------------------------------------------
TIME: Total execution time: 1.3370 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.