.gitignore

# Personal
**/data/*
**/data-clean/*
**/data-archive/*
**/data_archive/*
**/logs

# MacOSX
.DS_Store
**/.DS_Store

# GROMACS
*.a
*.cache
*.egg-info
*.gch
*.o
*.pyc
*.so
*.swp
.eggs
.idea
lib*.pc
.project
.python-version
.tox
.cproject
build
_build
CMakeLists.txt.user
/VersionInfo*.cmake
Testing
/.vs
/CMakeSettings.json

# NFS system
**/.nfs*

# Gromacs regression tests
*.xvg
ener.edr
ener.part*.edr
traj.trr
traj.part*.trr
*#
state*.cpt
md.log
md.part*.log
confout*.gro
mdout.mdp
topol.tpr
*~
*.orig
*.tmp
*.xtc
grompp.err
grompp.warn
rot*.log
make_edi.err
sam.edi

# Include specific .gitkeep files
!data/.gitkeep
!submission/logs/.gitkeep

# Include documentation
!**/README.md

# Keep all files in software directory
!software/**
**/.DS_Store
!force-field/**/*
!**/test/**
*.pyc
!submission/logs/.gitkeep