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Allows for KbT to be passed from MD code and used in METAD
I added the possibility to pass kbT from gromacs to plumed. To allow compatibility between old and new versions, I used the API number. Namely: gromacs checks that plumed API>1; if so, pass the temperature. KbT is only used in METAD so far (not in HISTOGRAM) Addresses #35
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- patches/gromacs-4.6.5.diff/src/kernel/md.c 7 additions, 0 deletionspatches/gromacs-4.6.5.diff/src/kernel/md.c
- src/bias/MetaD.cpp 12 additions, 8 deletionssrc/bias/MetaD.cpp
- src/core/Atoms.cpp 11 additions, 1 deletionsrc/core/Atoms.cpp
- src/core/Atoms.h 5 additions, 0 deletionssrc/core/Atoms.h
- src/core/PlumedMain.cpp 14 additions, 2 deletionssrc/core/PlumedMain.cpp
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