Mercurial > repos > agpetit > calculate_diameter
view test-data/PIP2.1_test_check.txt @ 8:d45cecb7cfd0 draft
"planemo upload for repository https://github.com/mesocentre-clermont-auvergne/aubi_piaf commit b6488400d4478d46697019485e912c38ea2202a5-dirty"
author | agpetit |
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date | Mon, 30 May 2022 15:56:59 +0000 |
parents | c574ada16e76 |
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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