diff 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"

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/PIP2.1_test_check.txt	Wed May 25 09:42:17 2022 +0000
@@ -0,0 +1,26 @@
+                       :-) 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