HYBRID Titration Code ¹
A completely free distribution.



ACCENT Entropy Expansion Code²
Free, but we ask for your name and email address to help us with software-support and with NIH grant reporting.

    Version 1.0 beta.
    More flexibility in choice of terms to be computed, and fewer bugs, relative to version 0.2.

    Version 0.2
    This version is superseded by Version 1.0 beta and is no longer supported. It is provided here only for reference.


References
1. Gilson,M.K., "Multiple-site titration and molecular modelling: Two Rapid Methods for Computing Energies and Forces for Ionizable Groups in Proteins", Proteins 15:266-282, 1993.

2. Killian,B.J., Kravitz,J.Y., Gilson,M.K., "Extraction of configurational entropy from molecular simulations via an expansion approximation", J. Chem. Phys. 127:024107, 2007.)