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updated pygromos submodule to PyGromosTools_V1.2
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Emilia PecoradeBarros committed Jan 9, 2023
1 parent b6a4f28 commit 075f691
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2 changes: 1 addition & 1 deletion reeds/submodules/pygromos
Submodule pygromos updated 36 files
+5 −5 docs/Examples/example_TI_gromos_euler.html
+5 −5 docs/Examples/example_TI_gromos_euler.ipynb
+13 −13 docs/Examples/example_ptp_files.html
+13 −13 docs/Examples/example_ptp_files.ipynb
+5 −5 docs/_modules/pygromos/euler_submissions/FileManager/Topology.html
+1 −1 docs/_modules/pygromos/euler_submissions/gen_Euler_LSF_jobarray.html
+1 −1 docs/_modules/pygromos/files/blocks/imd_blocks.html
+7 −7 docs/_modules/pygromos/files/blocks/topology_blocks.html
+5 −5 docs/_modules/pygromos/files/topology/top.html
+3 −3 docs/_modules/pygromos/gromos/gromosXX.html
+13 −13 docs/_modules/pygromos/tests/test_ptp.html
+3 −3 docs/_source/pygromos.euler_submissions.FileManager.html
+11 −11 docs/_source/pygromos.files.blocks.html
+9 −9 docs/_source/pygromos.files.topology.html
+3 −3 docs/_source/pygromos.gromos.html
+1 −1 docs/_source/pygromos.tests.html
+5 −5 docs/_sources/Examples/example_TI_gromos_euler.ipynb.txt
+13 −13 docs/_sources/Examples/example_ptp_files.ipynb.txt
+8 −8 docs/genindex.html
+1 −1 docs/searchindex.js
+5 −5 examples/example_TI_gromos_euler.ipynb
+14 −14 examples/example_ptp_files.ipynb
+14 −6 pygromos/euler_submissions/FileManager/Topology.py
+223 −0 pygromos/euler_submissions/Submission_Systems.py
+23 −10 pygromos/euler_submissions/gen_Euler_LSF_jobarray.py
+254 −0 pygromos/euler_submissions/gen_Euler_slurm_jobarray.py
+3 −3 pygromos/files/_basics/parser.py
+7 −4 pygromos/files/blocks/imd_blocks.py
+6 −6 pygromos/files/blocks/topology_blocks.py
+7 −13 pygromos/files/imd.py
+1 −1 pygromos/files/repdat.py
+5 −5 pygromos/files/topology/top.py
+7 −7 pygromos/gromos/gromosXX.py
+14 −14 pygromos/tests/test_ptp.py
+5 −3 pygromos/utils/amino_acids.py
+7 −2 pygromos/utils/bash.py

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