diff --git a/testing/input_files/bilayer.inp b/testing/input_files/bilayer.inp new file mode 100644 index 0000000..6443514 --- /dev/null +++ b/testing/input_files/bilayer.inp @@ -0,0 +1,40 @@ +# +# Lipid double layer with water above and below +# + +tolerance 2.0 +filetype pdb +output output.pdb + +structure ./structure_files/water.pdb + number 50 + inside box 0. 0. -10. 40. 40. 0. +end structure + +structure ./structure_files/water.pdb + number 50 + inside box 0. 0. 28. 40. 40. 38. +end structure + +structure ./structure_files/palmitoil.pdb + number 10 + inside box 0. 0. 0. 40. 40. 14. + atoms 31 32 + below plane 0. 0. 1. 2. + end atoms + atoms 1 2 + above plane 0. 0. 1. 12. + end atoms +end structure + +structure ./structure_files/palmitoil.pdb + number 10 + inside box 0. 0. 14. 40. 40. 28. + atoms 1 2 + below plane 0. 0. 1. 16. + end atoms + atoms 31 32 + above plane 0. 0. 1. 26 + end atoms +end structure + diff --git a/testing/test.sh b/testing/test.sh index 0b26532..b8d1242 100755 --- a/testing/test.sh +++ b/testing/test.sh @@ -6,7 +6,8 @@ curl -fsSL https://install.julialang.org | sh julia runtests.jl ./input_files/water_box.inp \ ./input_files/ieee_signaling.inp \ ./input_files/mixture.inp \ - ./input_files/spherical.inp + ./input_files/spherical.inp \ + ./input_files/bilayer.inp # check if output files are properly generated in a failed run ./test_failed.sh ./input_files/water_box_failed.inp packmol.log "FORCED"