CPPTRAJ: Trajectory Analysis. V4.25.6 (AmberTools V20.03)
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| Date/time: 07/29/20 16:44:29
| Available memory: 7.576 GB

	Reading 'parm7' as Amber Topology
	Radius Set: modified Bondi radii (mbondi)
Warning: Amber topology flag 'CMAP_COUNT' is unrecognized and will be skipped.
Warning: Amber topology flag 'CMAP_RESOLUTION' is unrecognized and will be skipped.
Warning: Amber topology flag 'CMAP_PARAMETER_01' is unrecognized and will be skipped.
Warning: Amber topology flag 'CMAP_INDEX' is unrecognized and will be skipped.
INPUT: Reading input from 'rmsd.cpptraj'
  [trajin 02_Heat.nc]
	Reading '02_Heat.nc' as Amber NetCDF
  [trajin 03_Prod.nc]
	Reading '03_Prod.nc' as Amber NetCDF
  [reference 01_Min.ncrst]
	Reading '01_Min.ncrst' as Amber NC Restart
	Setting active reference for distance-based masks: '01_Min.ncrst'
  [autoimage]
    AUTOIMAGE: To box center based on center of mass, anchor is first molecule.
  [rms reference mass out 02_03.rms time 2.0 :2]
    RMSD: (:2), reference is "ACE" (:2), mass-weighted.
	Best-fit RMSD will be calculated, coords will be rotated and translated.
---------- RUN BEGIN -------------------------------------------------

PARAMETER FILES (1 total):
 0: parm7, 2818 atoms, 702 res, box: Trunc. Oct., 700 mol, 699 solvent

INPUT TRAJECTORIES (2 total):
 0: '02_Heat.nc' is a NetCDF AMBER trajectory with coordinates, time, box, Parm parm7 (Trunc. Oct. box) (reading 100 of 100)
 1: '03_Prod.nc' is a NetCDF AMBER trajectory with coordinates, time, box, Parm parm7 (Trunc. Oct. box) (reading 50000 of 50000)
  Coordinate processing will occur on 50100 frames.

REFERENCE FRAMES (1 total):
    0: 01_Min.ncrst:1
	Active reference frame for distance-based masks is 'ACE'

BEGIN TRAJECTORY PROCESSING:
.....................................................
ACTION SETUP FOR PARM 'parm7' (2 actions):
  0: [autoimage]
	Original box is truncated octahedron, turning on 'familiar'.
	Using first molecule as anchor.
	699 molecules are mobile.
  1: [rms reference mass out 02_03.rms time 2.0 :2]
	Target mask: [:2](10)
	Reference mask: [:2](10)
Warning: Coordinates are being rotated and box coordinates are present.
Warning: Unit cell vectors are NOT rotated; imaging will not be possible
Warning:  after the RMS-fit is performed.
----- 02_Heat.nc (1-100, 1) -----
 0% 
----- 03_Prod.nc (1-50000, 1) -----
10% 20% 30% 40% 50% 60% 70% 80% 90% 100% Complete.

Read 50100 frames and processed 50100 frames.
TIME: Avg. throughput= 6091.0351 frames / second.

ACTION OUTPUT:
TIME: Analyses took 0.0000 seconds.

DATASETS (1 total):
	RMSD_00002 "RMSD_00002" (double, rms), size is 50100 (400.800 kB)
    Total data set memory usage is at least 400.800 kB

DATAFILES (1 total):
  02_03.rms (Standard Data File):  RMSD_00002

RUN TIMING:
TIME:		Init               : 0.0000 s (  0.00%)
TIME:		Trajectory Process : 8.2252 s ( 99.55%)
TIME:		Action Post        : 0.0000 s (  0.00%)
TIME:		Analysis           : 0.0000 s (  0.00%)
TIME:		Data File Write    : 0.0374 s (  0.45%)
TIME:		Other              : 0.0000 s (  0.00%)
TIME:	Run Total 8.2626 s
---------- RUN END ---------------------------------------------------
TIME: Total execution time: 8.3021 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.