Branch for testing terphenyl oligomers in CG PyRosetta

[tlfobe]

Description

CG PyRosetta makes it possible to load arbitrary topologies into Rosetta. Originally we used this to import custom CG models in Rostta, but we can also use it to import atomistic potentials of atomistic systems as well. This branch will be used to test implementing MC folding simulations of terphenyl oligomers.

To Dos

• Convert gromacs topology files to Rosetta parameter files
• Run MC simulations without crashes (do we find similar structures as those from simulation?)
• Charge averaging for individual residues
• Build arbitrary length oligomers
• LK solvation energy terms