2766 1998 1998 eng 1689 1697 15 19 article 0 -- -- -- Hybrid Monte Carlo with adaptive temperature in mixed-canonical ensemble J. Comp. Chem. http://publications.imp.fu-berlin.de/97/ 10.1002/(SICI)1096-987X(19981130)19:15<1689::AID-JCC2>3.0.CO;2-J Alexander Fischer Frank Cordes Christof Schütte Schütte, Christof