Add lambda state to dhdl.xvg with AWH fep
authorBerk Hess <hess@kth.se>
Thu, 21 Oct 2021 11:50:37 +0000 (11:50 +0000)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 21 Oct 2021 11:50:37 +0000 (11:50 +0000)
commitf25c404f340028dafc8446cf07d556d02b476b60
treea7bdbcf3a1e0849b748fecfa40dce56d586ae8ca
parent0a8eeb13f2ba12ebcac6bddb2e3471f3b2a644f5
Add lambda state to dhdl.xvg with AWH fep
src/gromacs/applied_forces/awh/read_params.cpp
src/gromacs/applied_forces/awh/read_params.h
src/gromacs/mdlib/energyoutput.cpp
src/gromacs/mdlib/energyoutput.h
src/gromacs/mdlib/tests/energyoutput.cpp
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/modularsimulator/energydata.cpp