diff --git a/test/01-NaK2K/1-Charmm/dry/count_nojump/membrane.json b/test/01-NaK2K/1-Charmm/dry/count_nojump/membrane.json new file mode 100644 index 0000000..7a94d32 --- /dev/null +++ b/test/01-NaK2K/1-Charmm/dry/count_nojump/membrane.json @@ -0,0 +1,9 @@ +{ + "pdb":"xx.pdb", + "xtc":"xx/fix_nojump.xtc", + "selection_dict": + { + "Wat" : "resname SOL and name OW" + }, + "mem_str":"resname POPC and name C2" +}