CPPTRAJ: Trajectory Analysis. V16.00b
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| Date/time: 05/26/16 12:03:04
| Available memory: 1.736 GB

	Reading '../../../tip3p/ff12sb/run1/build/noWAt.topo.hmr' as Amber Topology
INPUT: Reading input from 'pt-tors.in'
  [trajin ../ctraj.c5]
	Reading '../ctraj.c5' 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, 64 atoms, 2 res, box: Orthogonal, 1 mol

INPUT TRAJECTORIES (1 total):
 0: 'ctraj.c5' is a NetCDF AMBER trajectory, Parm noWAt.topo.hmr (Orthogonal box) (reading 3537 of 3537)
  Coordinate processing will occur on 3537 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.c5 (1-3537, 1) -----
 0% 10% 20% 30% 40% 50% 60% 70% 80% 90% 100% Complete.

Read 3537 frames and processed 3537 frames.
TIME: Avg. throughput= 246223.4598 frames / second.

ACTION OUTPUT:

DATASETS (7 total):
	d1 "d1" (double, torsion), size is 3537
	e1 "e1" (double, torsion), size is 3537
	z1 "z1" (double, torsion), size is 3537
	a2 "a2" (double, torsion), size is 3537
	b2 "b2" (double, torsion), size is 3537
	g2 "g2" (double, torsion), size is 3537
	d2' "d2'" (double, torsion), size is 3537

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

RUN TIMING:
TIME:		Init               : 0.0000 s (  0.05%)
TIME:		Trajectory Process : 0.0144 s ( 26.31%)
TIME:		Action Post        : 0.0000 s (  0.00%)
TIME:		Analysis           : 0.0000 s (  0.00%)
TIME:		Data File Write    : 0.0402 s ( 73.57%)
TIME:		Other              : 0.0000 s (  0.00%)
TIME:	Run Total 0.0546 s
---------- RUN END ---------------------------------------------------
TIME: Total execution time: 0.0651 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.