cpptraj_muldih_log.txt

CPPTRAJ: Trajectory Analysis. V16.00b
    ___  ___  ___  ___
     | \/ | \/ | \/ | 
    _|_/\_|_/\_|_/\_|_

| Date/time: 08/05/15  16:30:04
| Available memory: 132.562 MB

INPUT: Reading Input from file dih.in
  [parm G5.pdb]
	Reading 'G5.pdb' as PDB File
	G5.pdb: determining bond info from distances.
Warning: G5.pdb: Determining default bond distances from element types.
  [trajin G5.pdb]
	Reading 'G5.pdb' as PDB
  [multidihedral out test_all.out]
    MULTIDIHEDRAL: Calculating phi psi chip omega alpha beta gamma delta epsilon zeta nu1 nu2 chin chin dihedrals for all solute residues.
	Output to test_all.out
	Output range is -180 to 180 degrees.
  [multidihedral delta out test_delta.out]
    MULTIDIHEDRAL: Calculating delta dihedrals for all solute residues.
	Output to test_delta.out
	Output range is -180 to 180 degrees.
---------- RUN BEGIN -------------------------------------------------

PARAMETER FILES:
 0: 'G5.pdb', 32 atoms, 1 res, box: None, 1 mol, 1 frames

INPUT TRAJECTORIES:
 0: 'G5.pdb' is a PDB file, Parm G5.pdb (reading 1 of 1)
  Coordinate processing will occur on 1 frames.
TIME: Run Initialization took 0.0000 seconds.

BEGIN TRAJECTORY PROCESSING:
.....................................................
ACTION SETUP FOR PARM 'G5.pdb' (2 actions):
  0: [multidihedral out test_all.out]
	ResRange=[] phi psi chip omega alpha beta gamma delta epsilon zeta nu1 nu2 chin chin, 5 dihedrals.
  1: [multidihedral delta out test_delta.out]
	ResRange=[] delta, 1 dihedrals.
----- G5.pdb (1-1, 1) -----
100% Complete.

Read 1 frames and processed 1 frames.
TIME: Trajectory processing: 0.0002 s
TIME: Avg. throughput= 4065.0407 frames / second.

ACTION OUTPUT:

DATASETS:
  6 data sets:
	MDIH_00000[gamma]:1 "gamma:1" (double, torsion(gamma)), size is 1
	MDIH_00000[delta]:1 "delta:1" (double, torsion(delta)), size is 1
	MDIH_00000[nu1]:1 "nu1:1" (double, torsion), size is 1
	MDIH_00000[nu2]:1 "nu2:1" (double, torsion), size is 1
	MDIH_00000[chin]:1 "chin:1" (double, torsion(chi)), size is 1
	MDIH_00005[delta]:1 "delta:1" (double, torsion(delta)), size is 1

DATAFILES:
  test_all.out (Standard Data File):  gamma:1 delta:1 nu1:1 nu2:1 chin:1
  test_delta.out (Standard Data File):  delta:1
---------- RUN END ---------------------------------------------------
TIME: Total execution time: 0.0020 seconds.
--------------------------------------------------------------------------------
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.