Put replica exchange parameters in a struct
authorBerk Hess <hess@kth.se>
Fri, 9 Jun 2017 19:38:58 +0000 (21:38 +0200)
committerBerk Hess <hess@kth.se>
Sat, 10 Jun 2017 09:15:57 +0000 (11:15 +0200)
commitb1b8ee105ab8349524444083c54edda4678d5609
treeb51a4f7d5e3d619aafad9dce75651911bc8a58ef
parent675bfc76ab7febe514af377490f1368e94b79c56
Put replica exchange parameters in a struct

Change-Id: I56d3b19c3e3c83bf99ac622930fb20c1efdc129d
src/gromacs/mdlib/integrator.h
src/gromacs/mdlib/minimize.cpp
src/gromacs/mdlib/tpi.cpp
src/programs/mdrun/md.cpp
src/programs/mdrun/mdrun.cpp
src/programs/mdrun/repl_ex.cpp
src/programs/mdrun/repl_ex.h
src/programs/mdrun/runner.cpp
src/programs/mdrun/runner.h