.gitignore

# Files generated by invoking Julia with --code-coverage
*.swp
*.jl.cov
*.jl.*.cov

# Files generated by invoking Julia with --track-allocation
*.jl.mem

# System-specific files and directories generated by the BinaryProvider and BinDeps packages
# They contain absolute paths specific to the host computer, and so should not be committed
deps/deps.jl
deps/build.log
deps/downloads/
deps/usr/
deps/src/

# Build artifacts for creating documentation generated by the Documenter package
docs/build/
docs/site/

# File generated by Pkg, the package manager, based on a corresponding Project.toml
# It records a fixed state of all packages used by the project. As such, it should not be
# committed for packages, but should be committed for applications that require a static
# environment.
Manifest.toml
.vscode/settings.json
simulation.gif
profile.pb.gz
src/examples/__pycache__/*

# ignore gromacs test runtime files
test/gromacs/**/\#* 
test/gromacs/**/*.gro
test/gromacs/**/topol.top
test/gromacs/**/argon_1ns*
test/gromacs/**/traj*
test/gromacs/**/ener*
test/gromacs/**/mdout*
test/gromacs/**/*tpr
test/gromacs/**/*1
#test/gromacs/**/*log
#test/gromacs/**/*mdp