Jing Huang's repositories
Drude2MPID
A converter to automatically map Drude topology files into MPID ones.
CMAPoptimizer
Monte Carlo simulated annealing to optimize the CMAP potentials in molecular mechanics force fields with reweighting calculation
Westlake University
Hangzhou, Zhejiang, China
A converter to automatically map Drude topology files into MPID ones.
Monte Carlo simulated annealing to optimize the CMAP potentials in molecular mechanics force fields with reweighting calculation