Accuracy Test of the OPLS-AA Force Field for Calculating Free Energies of Mixing and Comparison with PAC-MAC
Sweere, Augustinus J. M., Fraaije, Johannes G. E. M.Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.6b01106
Date:
April, 2017
File:
PDF, 3.77 MB
english, 2017