General File Outline:
Core source functions are contained within .f and .f90 files in src/
Various output data files from each run are written to and stored within the folder data/
siga.in is the input file read by the program executuable, bin/mdrun2 (as described by prms.f90)
siga.in.template is a template format of siga.in, as modified according to user input from the jupyter notebook, fibmd.ipynb