Mercurial > repos > agpetit > calculate_diameter

diff test-data/cut_trajectories_file.log @ 6:a7128cd8f0e1 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 15:04:51 +0000
parents e504457035e5
children
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--- a/test-data/cut_trajectories_file.log	Mon May 30 14:21:51 2022 +0000
+++ b/test-data/cut_trajectories_file.log	Mon May 30 15:04:51 2022 +0000
@@ -25,8 +25,8 @@
 
                :-) GROMACS - gmx trjconv, 2022.1-conda_forge (-:
 
-Executable:   /home/aepetit/miniconda3/envs/mulled-v1-0569c04ab612909a373223b7f7da6469041d31d933b93b55db5a38a76d747ad1/bin.AVX2_256/gmx
-Data prefix:  /home/aepetit/miniconda3/envs/mulled-v1-0569c04ab612909a373223b7f7da6469041d31d933b93b55db5a38a76d747ad1
+Executable:   /home/aepetit/miniconda3/envs/mulled-v1-2880a0cc8fea113b095b7fdfec6d72552feed785405b8640b3b3dfce7df9d296/bin.AVX2_256/gmx
+Data prefix:  /home/aepetit/miniconda3/envs/mulled-v1-2880a0cc8fea113b095b7fdfec6d72552feed785405b8640b3b3dfce7df9d296
 Working dir:  /tmp/tmp87fei_xs/job_working_directory/000/5/working
 Command line:
   gmx trjconv -f PIP2.1_test.xtc -s PIP2.1_test.gro -b 0 -e 20 -o out/PIP2.1_test_traj_1.xtc
@@ -70,8 +70,8 @@
 Selected 0: 'System'
                :-) GROMACS - gmx trjconv, 2022.1-conda_forge (-:
 
-Executable:   /home/aepetit/miniconda3/envs/mulled-v1-0569c04ab612909a373223b7f7da6469041d31d933b93b55db5a38a76d747ad1/bin.AVX2_256/gmx
-Data prefix:  /home/aepetit/miniconda3/envs/mulled-v1-0569c04ab612909a373223b7f7da6469041d31d933b93b55db5a38a76d747ad1
+Executable:   /home/aepetit/miniconda3/envs/mulled-v1-2880a0cc8fea113b095b7fdfec6d72552feed785405b8640b3b3dfce7df9d296/bin.AVX2_256/gmx
+Data prefix:  /home/aepetit/miniconda3/envs/mulled-v1-2880a0cc8fea113b095b7fdfec6d72552feed785405b8640b3b3dfce7df9d296
 Working dir:  /tmp/tmp87fei_xs/job_working_directory/000/5/working
 Command line:
   gmx trjconv -f PIP2.1_test.xtc -s PIP2.1_test.gro -b 30 -e 50 -o out/PIP2.1_test_traj_2.xtc
@@ -116,8 +116,8 @@
 Selected 0: 'System'
                :-) GROMACS - gmx trjconv, 2022.1-conda_forge (-:
 
-Executable:   /home/aepetit/miniconda3/envs/mulled-v1-0569c04ab612909a373223b7f7da6469041d31d933b93b55db5a38a76d747ad1/bin.AVX2_256/gmx
-Data prefix:  /home/aepetit/miniconda3/envs/mulled-v1-0569c04ab612909a373223b7f7da6469041d31d933b93b55db5a38a76d747ad1
+Executable:   /home/aepetit/miniconda3/envs/mulled-v1-2880a0cc8fea113b095b7fdfec6d72552feed785405b8640b3b3dfce7df9d296/bin.AVX2_256/gmx
+Data prefix:  /home/aepetit/miniconda3/envs/mulled-v1-2880a0cc8fea113b095b7fdfec6d72552feed785405b8640b3b3dfce7df9d296
 Working dir:  /tmp/tmp87fei_xs/job_working_directory/000/5/working
 Command line:
   gmx trjconv -f PIP2.1_test.xtc -s PIP2.1_test.gro -b 60 -e 80 -o out/PIP2.1_test_traj_3.xtc