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view test-data/PIP2.1_test_check.txt @ 5:da08087fcc0e draft

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"planemo upload for repository https://github.com/mesocentre-clermont-auvergne/aubi_piaf commit b6488400d4478d46697019485e912c38ea2202a5-dirty"
author agpetit
date Mon, 30 May 2022 14:12:50 +0000
parents 6364be33b0c2
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                       :-) GROMACS - gmx check, 2022 (-:

Executable:   /usr/local/gromacs/bin/gmx
Data prefix:  /usr/local/gromacs
Working dir:  /home/aepetit/Documents/scripts/Stage-M2/wrapper/test-data
Command line:
  gmx check -f PIP2.1_test.xtc


Reading frame       0 time    0.000   
# Atoms  311580
Precision 0.001 (nm)

Reading frame       1 time   10.000   
Reading frame       2 time   20.000   
Reading frame       3 time   30.000   
Reading frame       4 time   40.000   
Reading frame       5 time   50.000   
Reading frame       6 time   60.000   
Reading frame       7 time   70.000   
Reading frame       8 time   80.000   
Reading frame       9 time   90.000   
Reading frame      10 time  100.000   
Last frame         10 time  100.000   


Item        #frames Timestep (ps)
Step            11    10
Time            11    10
Lambda           0
Coords          11    10
Velocities       0
Forces           0
Box             11    10

GROMACS reminds you: "Hangout In the Suburbs If You've Got the Guts" (Urban Dance Squad)

Checking file PIP2.1_test.xtc