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parser-amber
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This is an archived project. Repository and other project resources are read-only.
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nomad-lab
parser-amber
a2af5dc85d5ca8909a78fe6d0a157a1f5b8430ef
a2af5dc85d5ca8909a78fe6d0a157a1f5b8430ef
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nomad-coe
preMetaRename
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parser-amber
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README.md
parser/parser-amber/AMBERCommon.py
parser/parser-amber/AMBERDictionary.py
parser/parser-amber/AMBERParser.py
parser/parser-amber/MetaInfoStorage.py
parser/parser-amber/setup_paths.py
parser/parser-amber/trajectory_reader.py
src/main/scala/eu/nomad_lab/parsers/AmberParser.scala
src/test/scala/eu/nomad_lab/parsers/AmberParserSpec.scala
test/examples/01_Min.out
test/examples/02_Heat.mdcrd
test/examples/02_Heat.out
test/examples/03_Prod.mdcrd
test/examples/03_Prod.out
test/examples/DNA-Tutorial1/polyAT_cio.inpcrd
test/examples/DNA-Tutorial1/polyAT_cio.prmtop
test/examples/DNA-Tutorial1/polyAT_vac.inpcrd
test/examples/DNA-Tutorial1/polyAT_vac.prmtop
test/examples/DNA-Tutorial1/polyAT_vac_init_min.in
test/examples/DNA-Tutorial1/polyAT_vac_init_min.out
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