GROMOS++ is a set of C++
programs for
pre- and
post
processing of molecular dynamics simulation trajectories and as such is
part of the
GROningen
MOlecular
Simulation software for (bio)molecular simulation. It contains more than 70
programs that can be used to
pre
pare data for the
production of molecular simulation trajectories and to analyze these. These
programs are reviewed and the various structural, dynamic, and thermodynamic quantities that can be analyzed using time series, correlation functions, and distributions are described together with technical as
pects of their im
plementation in GROMOS. A few exam
ples of the use of GROMOS++ for the analysis of MD trajectories are given. A full list of all GROMOS++
programs, together with an indication of their ca
pabilities, is given in the
pp1">Appendix.