Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solution.

Ramkumar Rajamani Kevin J. Naidoo Jiali Gao Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solution. 1775-1781 2003 24 Journal of Computational Chemistry 14 http://dx.doi.org/10.1002/jcc.10315 db/journals/jcc/jcc24.html#RajamaniNG03