CPPTRAJ: Trajectory Analysis. V16.00b
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| Date/time: 12/04/15 16:15:33
| Available memory: 887.93 MB

INPUT: Reading Input from file pt-hb-rna.in
  [parm ../../../tip3p/ff12sb/run1/build/noWAt.topo.hmr [traj]]
	Reading '../../../tip3p/ff12sb/run1/build/noWAt.topo.hmr' as Amber Topology
  [autoimage origin]
    AUTOIMAGE: To origin based on center of mass, anchor is first molecule.
  [trajin ../ctraj.c4]
	Reading '../ctraj.c4' as Amber NetCDF
  [autoimage origin]
    AUTOIMAGE: To origin based on center of mass, anchor is first molecule.
  [hbond :1-2 avgout avghb-rna.dat printatomnum]
  HBOND: Searching for Hbond donors/acceptors in region specified by :1-2
	Distance cutoff = 3.000, Angle Cutoff = 135.000
	Writing Hbond avgs to avghb-rna.dat
	Atom numbers will be written to output.
---------- RUN BEGIN -------------------------------------------------

PARAMETER FILES:
 0: noWAt.topo.hmr, 67 atoms, 2 res, box: Orthogonal, 1 mol

INPUT TRAJECTORIES:
 0: 'ctraj.c4' is a NetCDF AMBER trajectory, Parm noWAt.topo.hmr (Orthogonal box) (reading 55735 of 55735)
  Coordinate processing will occur on 55735 frames.
TIME: Run Initialization took 0.0000 seconds.

BEGIN TRAJECTORY PROCESSING:
.....................................................
ACTION SETUP FOR PARM 'noWAt.topo.hmr' (3 actions):
  0: [autoimage origin]
	Anchor molecule is 1
	0 molecules are mobile.
  1: [autoimage origin]
	Anchor molecule is 1
	0 molecules are mobile.
  2: [hbond :1-2 avgout avghb-rna.dat printatomnum]
	Set up 22 acceptors:
	Set up 10 donors:
	Imaging off.
	Estimated max potential memory usage: 0.02 MB
----- ctraj.c4 (1-55735, 1) -----
 0% 10% 20% 30% 40% 50% 60% 70% 80% 90% 100% Complete.

Read 55735 frames and processed 55735 frames.
TIME: Trajectory processing: 0.4160 s
TIME: Avg. throughput= 133964.5181 frames / second.

ACTION OUTPUT:
    HBOND: Actual memory usage is 0.00 MB
	63 solute-solute hydrogen bonds.

DATASETS:
  2 data sets:
	[traj] "[traj]" (topology), size is 67 noWAt.topo.hmr, 67 atoms, 2 res, box: Orthogonal, 1 mol
	HB_00001[UU] "HB_00001[UU]" (integer), size is 55735

DATAFILES:
  avghb-rna.dat (Avg. solute-solute HBonds)
---------- RUN END ---------------------------------------------------
TIME: Total execution time: 0.4290 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.