Basissets for Variational Approach for conformation dynamics (VAC)

This package provides basis sets for molecular dynamics (MD), and in particular protein dynamics. See [1] for a first approach in this direction.

References

[1] Vitalini, F., Noe, F. and Keller, B. (2015): A basis set for peptides for the variational approach to conformational kinetics. (In review).