Commit 075f691
Emilia PecoradeBarros
updated pygromos submodule to PyGromosTools_V1.2
1 parent b6a4f28 commit 075f691
1 file changed
+1
-1
lines changed- docs/Examples/example_TI_gromos_euler.html+5-5
- docs/Examples/example_TI_gromos_euler.ipynb+5-5
- docs/Examples/example_ptp_files.html+13-13
- docs/Examples/example_ptp_files.ipynb+13-13
- docs/_modules/pygromos/euler_submissions/FileManager/Topology.html+5-5
- docs/_modules/pygromos/euler_submissions/gen_Euler_LSF_jobarray.html+1-1
- docs/_modules/pygromos/files/blocks/imd_blocks.html+1-1
- docs/_modules/pygromos/files/blocks/topology_blocks.html+7-7
- docs/_modules/pygromos/files/topology/top.html+5-5
- docs/_modules/pygromos/gromos/gromosXX.html+3-3
- docs/_modules/pygromos/tests/test_ptp.html+13-13
- docs/_source/pygromos.euler_submissions.FileManager.html+3-3
- docs/_source/pygromos.files.blocks.html+11-11
- docs/_source/pygromos.files.topology.html+9-9
- docs/_source/pygromos.gromos.html+3-3
- docs/_source/pygromos.tests.html+1-1
- docs/_sources/Examples/example_TI_gromos_euler.ipynb.txt+5-5
- docs/_sources/Examples/example_ptp_files.ipynb.txt+13-13
- docs/genindex.html+8-8
- docs/searchindex.js+1-1
- examples/example_TI_gromos_euler.ipynb+5-5
- examples/example_ptp_files.ipynb+14-14
- pygromos/euler_submissions/FileManager/Topology.py+14-6
- pygromos/euler_submissions/Submission_Systems.py+223
- pygromos/euler_submissions/gen_Euler_LSF_jobarray.py+23-10
- pygromos/euler_submissions/gen_Euler_slurm_jobarray.py+254
- pygromos/files/_basics/parser.py+3-3
- pygromos/files/blocks/imd_blocks.py+7-4
- pygromos/files/blocks/topology_blocks.py+6-6
- pygromos/files/imd.py+7-13
- pygromos/files/repdat.py+1-1
- pygromos/files/topology/top.py+5-5
- pygromos/gromos/gromosXX.py+7-7
- pygromos/tests/test_ptp.py+14-14
- pygromos/utils/amino_acids.py+5-3
- pygromos/utils/bash.py+7-2
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