Warning: Assuming 'stfcdiffusion_Cs.in' contains cpptraj input.

CPPTRAJ: Trajectory Analysis. V4.14.0 (AmberTools V19.03)
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| Date/time: 06/14/19 15:09:35
| Available memory: 2.115 GB

INPUT: Reading input from 'stfcdiffusion_Cs.in'
  [parm Interface_CsCl.prmtop]
	Reading 'Interface_CsCl.prmtop' as Amber Topology
	Radius Set: modified Bondi radii (mbondi)
  [trajin Prod_2nm.nc]
	Reading 'Prod_2nm.nc' as Amber NetCDF
  [trajin Prod_10ns.nc]
	Reading 'Prod_10ns.nc' as Amber NetCDF
  [trajin Prod_12nm.nc]
	Reading 'Prod_12nm.nc' as Amber NetCDF
  [trajin Prod_17nm.nc]
	Reading 'Prod_17nm.nc' as Amber NetCDF
  [stfcdiffusion mask @CS out diffusion_Interface.out mask2 @CS lower 28.3750 upper 34.8750]
    DIFFUSION (STFC): Calculating diffusion in the xyz directions
		Mask 1 expression: @CS
		Atoms in mask 2 (@CS) in the range 28.375 to 34.875 Angstrom will be used
		Distances will be imaged.
		Only the average results will be written to diffusion_Interface.out
		The number of atoms in the shell will be written to nw.dat
		The time step between frames is 1.000 ps.
  [run]
---------- RUN BEGIN -------------------------------------------------

PARAMETER FILES (1 total):
 0: Interface_CsCl.prmtop, 6951 atoms, 3345 res, box: Orthogonal, 3345 mol, 1803 solvent

INPUT TRAJECTORIES (4 total):
 0: 'Prod_2nm.nc' is a NetCDF AMBER trajectory with coordinates, velocities, time, box, Parm Interface_CsCl.prmtop (Orthogonal box) (reading 10000 of 10000)
 1: 'Prod_10ns.nc' is a NetCDF AMBER trajectory with coordinates, velocities, time, box, Parm Interface_CsCl.prmtop (Orthogonal box) (reading 40000 of 40000)
 2: 'Prod_12nm.nc' is a NetCDF AMBER trajectory with coordinates, velocities, time, box, Parm Interface_CsCl.prmtop (Orthogonal box) (reading 10000 of 10000)
 3: 'Prod_17nm.nc' is a NetCDF AMBER trajectory with coordinates, velocities, time, box, Parm Interface_CsCl.prmtop (Orthogonal box) (reading 3453 of 3453)
  Coordinate processing will occur on 63453 frames.

BEGIN TRAJECTORY PROCESSING:
.....................................................
ACTION SETUP FOR PARM 'Interface_CsCl.prmtop' (1 actions):
  0: [stfcdiffusion mask @CS out diffusion_Interface.out mask2 @CS lower 28.3750 upper 34.8750]
	Mask [@CS] corresponds to 51 atoms.
	Mask [@CS] corresponds to 51 atoms.
	Imaging distances.
----- Prod_2nm.nc (1-10000, 1) -----
 0% Error: No atoms of mask 1 left for processing.
Warning: Action [stfcdiffusion] failed, frame 1.
10% 
----- Prod_10ns.nc (1-40000, 1) -----
20% 30% 40% 50% 60% 70% 
----- Prod_12nm.nc (1-10000, 1) -----
80% 90% 
----- Prod_17nm.nc (1-3453, 1) -----
100% Complete.

Read 63453 frames and processed 63453 frames.
TIME: Avg. throughput= 486.7092 frames / second.

ACTION OUTPUT:
TIME: Analyses took 0.0000 seconds.

DATAFILES (2 total):
  diffusion_Interface.out (Diffusion)
  nw.dat (Diffusion # waters)

RUN TIMING:
TIME:		Init               : 0.0001 s (  0.00%)
TIME:		Trajectory Process : 130.3715 s ( 99.98%)
TIME:		Action Post        : 0.0000 s (  0.00%)
TIME:		Analysis           : 0.0000 s (  0.00%)
TIME:		Data File Write    : 0.0000 s (  0.00%)
TIME:		Other              : 0.0278 s (  0.00%)
TIME:	Run Total 130.3993 s
---------- RUN END ---------------------------------------------------
TIME: Total execution time: 130.7282 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.