scripts

Collection of useful scripts for the kind of calculations performed in the group

Name		Name	Last commit message	Last commit date
Latest commit History 28 Commits
chimera		chimera
PESplotter.py		PESplotter.py
README.md		README.md
amber_to_chemshell_modeller.py		amber_to_chemshell_modeller.py
atoms_list_to_pdb.py		atoms_list_to_pdb.py
c_to_pdb.sh		c_to_pdb.sh
crop_topology.py		crop_topology.py
energy_plots_opt.py		energy_plots_opt.py
exponential_average_of_potential_energy_barriers.py		exponential_average_of_potential_energy_barriers.py
fix_prmtop_for_chemsh.py		fix_prmtop_for_chemsh.py
multiframe.py		multiframe.py
o2_addition.py		o2_addition.py
param_script.sh		param_script.sh
pdb_to_c.sh		pdb_to_c.sh
pmf_from_smd.py		pmf_from_smd.py
printPESs.py		printPESs.py
repair_c_file.py		repair_c_file.py

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