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Fixed bug in virial computed from FIT_TO_TEMPLATE
This bug was not detected since it only appears if the reference pdb has center not in the origin. I also added an extra regtest to check for this
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- regtest/basic/rt63b/Makefile 1 addition, 0 deletionsregtest/basic/rt63b/Makefile
- regtest/basic/rt63b/align.pdb 3 additions, 0 deletionsregtest/basic/rt63b/align.pdb
- regtest/basic/rt63b/config 2 additions, 0 deletionsregtest/basic/rt63b/config
- regtest/basic/rt63b/ff.reference 1608 additions, 0 deletionsregtest/basic/rt63b/ff.reference
- regtest/basic/rt63b/helix.input.gro 1620 additions, 0 deletionsregtest/basic/rt63b/helix.input.gro
- regtest/basic/rt63b/helix.pdb 133 additions, 0 deletionsregtest/basic/rt63b/helix.pdb
- regtest/basic/rt63b/plumed.dat 22 additions, 0 deletionsregtest/basic/rt63b/plumed.dat
- src/generic/FitToTemplate.cpp 2 additions, 0 deletionssrc/generic/FitToTemplate.cpp
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