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Initial commit for NAMD parser
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- README.md 35 additions, 0 deletionsREADME.md
- parser/.DS_Store 0 additions, 0 deletionsparser/.DS_Store
- parser/parser-namd/.DS_Store 0 additions, 0 deletionsparser/parser-namd/.DS_Store
- parser/parser-namd/.idea/misc.xml 5 additions, 0 deletionsparser/parser-namd/.idea/misc.xml
- parser/parser-namd/.idea/modules.xml 9 additions, 0 deletionsparser/parser-namd/.idea/modules.xml
- parser/parser-namd/.idea/parser-amber.iml 13 additions, 0 deletionsparser/parser-namd/.idea/parser-amber.iml
- parser/parser-namd/.idea/workspace.xml 208 additions, 0 deletionsparser/parser-namd/.idea/workspace.xml
- parser/parser-namd/NAMDCommon.py 48 additions, 0 deletionsparser/parser-namd/NAMDCommon.py
- parser/parser-namd/NAMDDictionary.py 0 additions, 0 deletionsparser/parser-namd/NAMDDictionary.py
- parser/parser-namd/NAMDParser.py 0 additions, 0 deletionsparser/parser-namd/NAMDParser.py
- parser/parser-namd/setup_paths.py 8 additions, 0 deletionsparser/parser-namd/setup_paths.py
- src/main/scala/eu/nomad_lab/parsers/NAMDParser.scala 45 additions, 0 deletionssrc/main/scala/eu/nomad_lab/parsers/NAMDParser.scala
- src/test/scala/eu/nomad_lab/parsers/NAMDParserSpec.scala 20 additions, 0 deletionssrc/test/scala/eu/nomad_lab/parsers/NAMDParserSpec.scala
- test/examples/README.md 15 additions, 0 deletionstest/examples/README.md
- test/examples/apoa1-andersen/FFTW_NAMD_2.12_Linux-x86_64-MPI.txt 2 additions, 0 deletions...amples/apoa1-andersen/FFTW_NAMD_2.12_Linux-x86_64-MPI.txt
- test/examples/apoa1-andersen/FFTW_NAMD_2.12_MacOSX-x86_64-multicore.txt 2 additions, 0 deletions...apoa1-andersen/FFTW_NAMD_2.12_MacOSX-x86_64-multicore.txt
- test/examples/apoa1-andersen/apoa1-out.coor 0 additions, 0 deletionstest/examples/apoa1-andersen/apoa1-out.coor
- test/examples/apoa1-andersen/apoa1-out.vel 0 additions, 0 deletionstest/examples/apoa1-andersen/apoa1-out.vel
- test/examples/apoa1-andersen/apoa1-out.xsc 3 additions, 0 deletionstest/examples/apoa1-andersen/apoa1-out.xsc
- test/examples/apoa1-andersen/apoa1.log 0 additions, 0 deletionstest/examples/apoa1-andersen/apoa1.log
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