Make sure your current directory is projet_court_nz

Environment

1 - Recreate the conda environment with the config_projet.yml file avaible in the src repository 
	$ conda env create -f src/config_projet.yml
2 - Activate the generated environment
	$ conda activate projet-court

toy-example:
md.pdb contains structural information of 501 conformations of the calf-1 domain

3 - try the program on md.pdb
	$ python3 src/projet8 data/md.pdb 

Informations:

The pdb was obtained from .trr and .gro files available online (http://www.dsimb.inserm.fr/~tmp/DM_Calf-1_WT_production_long1.tar.gz)
pbd was generated using gromacs :
	$ trjconv -f md.trr -s md -o md.pdb
