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978e8602

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Commit 978e8602 authored 9 years ago by Gareth Tribello

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Fixed output of PDB files in Classical Multidimensional scaling so that they can be read by PLUMED

parent 94bfdee0

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src/analysis/Analysis.cpp 1 addition, 1 deletion

src/analysis/Analysis.cpp
src/analysis/ClassicalMultiDimensionalScaling.cpp 1 addition, 1 deletion

src/analysis/ClassicalMultiDimensionalScaling.cpp
src/reference/PointWiseMapping.cpp 3 additions, 2 deletions

src/reference/PointWiseMapping.cpp
src/reference/PointWiseMapping.h 2 additions, 1 deletion

src/reference/PointWiseMapping.h
src/reference/ReferenceAtoms.cpp 3 additions, 3 deletions

src/reference/ReferenceAtoms.cpp
src/reference/ReferenceAtoms.h 1 addition, 1 deletion

src/reference/ReferenceAtoms.h
src/reference/ReferenceConfiguration.cpp 4 additions, 4 deletions

src/reference/ReferenceConfiguration.cpp
src/reference/ReferenceConfiguration.h 2 additions, 2 deletions

src/reference/ReferenceConfiguration.h

with 17 additions and 15 deletions

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