Initial Commit

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