Mercurial > repos > agpetit > calculate_diameter
comparison test-data/PIP2.1_test_check.txt @ 2:c574ada16e76 draft
"planemo upload for repository https://github.com/mesocentre-clermont-auvergne/aubi_piaf commit 48a10de1b21f94ab8019d9d0e4a43e0bd9d0c31e-dirty"
| author | agpetit |
|---|---|
| date | Wed, 25 May 2022 09:42:17 +0000 |
| parents | |
| children |
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| 1:658c6ec58e91 | 2:c574ada16e76 |
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| 1 :-) GROMACS - gmx check, 2022 (-: | |
| 2 | |
| 3 Executable: /usr/local/gromacs/bin/gmx | |
| 4 Data prefix: /usr/local/gromacs | |
| 5 Working dir: /home/aepetit/Documents/scripts/Stage-M2/wrapper/test-data | |
| 6 Command line: | |
| 7 gmx check -f PIP2.1_test.xtc | |
| 8 | |
| 9 | |
| 10 Reading frame 0 time 0.000 | |
| 11 # Atoms 311580 | |
| 12 Precision 0.001 (nm) | |
| 13 | |
| 14 Reading frame 1 time 10.000 | |
| 15 Reading frame 2 time 20.000 | |
| 16 Reading frame 3 time 30.000 | |
| 17 Reading frame 4 time 40.000 | |
| 18 Reading frame 5 time 50.000 | |
| 19 Reading frame 6 time 60.000 | |
| 20 Reading frame 7 time 70.000 | |
| 21 Reading frame 8 time 80.000 | |
| 22 Reading frame 9 time 90.000 | |
| 23 Reading frame 10 time 100.000 | |
| 24 Last frame 10 time 100.000 | |
| 25 | |
| 26 | |
| 27 Item #frames Timestep (ps) | |
| 28 Step 11 10 | |
| 29 Time 11 10 | |
| 30 Lambda 0 | |
| 31 Coords 11 10 | |
| 32 Velocities 0 | |
| 33 Forces 0 | |
| 34 Box 11 10 | |
| 35 | |
| 36 GROMACS reminds you: "Hangout In the Suburbs If You've Got the Guts" (Urban Dance Squad) | |
| 37 | |
| 38 Checking file PIP2.1_test.xtc |