Uni_handy_scripts

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write_q_sub.py: Writes input files for submission in Eddie.
write_com.py: Writes Gaussian input files.
pd_parameterisation.py: Changes top/oplsaa/ffnonbonded.itp parameters in GROMACS topology directory.
statistics.py: Delivers the mean, min and max value of an .xvg file for analysis.
parameter_conv.py: Converts AMBER parameters to OPLSAA compatible ones.

Name		Name	Last commit message	Last commit date
Latest commit History 14 Commits
README.md		README.md
find_restrained.py		find_restrained.py
parameter_conv.py		parameter_conv.py
pd_parametrisation.py		pd_parametrisation.py
readGoodVibes.py		readGoodVibes.py
rename_files.py		rename_files.py
run_biosimspace.py		run_biosimspace.py
run_somd.py		run_somd.py
statistics.py		statistics.py
write_com.py		write_com.py
write_q_sub.py		write_q_sub.py