JCED_FOMMS_supporting_information.out

\BOOKMARK [1][-]{section.1}{Bonded parameters}{}% 1
\BOOKMARK [1][-]{section.2}{Fixed vs. flexible bonds}{}% 2
\BOOKMARK [1][-]{section.3}{CBMC acceptance rates}{}% 3
\BOOKMARK [1][-]{section.4}{Compiler and hardware}{}% 4
\BOOKMARK [1][-]{section.5}{-scaling}{}% 5
\BOOKMARK [2][-]{subsection.5.1}{Tabulated \040values}{section.5}% 6
\BOOKMARK [2][-]{subsection.5.2}{Tabulated phase equilibria for optimal }{section.5}% 7
\BOOKMARK [3][-]{subsubsection.5.2.1}{Branched alkanes}{subsection.5.2}% 8
\BOOKMARK [3][-]{subsubsection.5.2.2}{Alkynes}{subsection.5.2}% 9
\BOOKMARK [1][-]{section.6}{Case study: Cyclohexane optimization}{}% 10
\BOOKMARK [2][-]{subsection.6.1}{Phase equilibria plots}{section.6}% 11
\BOOKMARK [2][-]{subsection.6.2}{Twenty replicates}{section.6}% 12
\BOOKMARK [2][-]{subsection.6.3}{TAMie comparison}{section.6}% 13
\BOOKMARK [2][-]{subsection.6.4}{Minimum number of effective snapshots}{section.6}% 14
\BOOKMARK [2][-]{subsection.6.5}{Finite-size effects}{section.6}% 15
\BOOKMARK [2][-]{subsection.6.6}{Tabulated phase equilibria for iterations}{section.6}% 16
\BOOKMARK [1][-]{section.7}{Compressibility factor}{}% 17
\BOOKMARK [2][-]{subsection.7.1}{Validation of GCMC-MBAR}{section.7}% 18
\BOOKMARK [2][-]{subsection.7.2}{Case study: Cyclohexane optimization}{section.7}% 19
\BOOKMARK [2][-]{subsection.7.3}{TAMie validation}{section.7}% 20
\BOOKMARK [1][-]{section.8}{Tabulated phase equilibria for validation of GCMC-MBAR}{}% 21
\BOOKMARK [2][-]{subsection.8.1}{Branched alkanes}{section.8}% 22
\BOOKMARK [2][-]{subsection.8.2}{Alkynes}{section.8}% 23
\BOOKMARK [1][-]{section.9}{Simulation state points}{}% 24
\BOOKMARK [2][-]{subsection.9.1}{Cyclohexane}{section.9}% 25
\BOOKMARK [2][-]{subsection.9.2}{Branched alkanes}{section.9}% 26