From 391c2054ae3f321dc4d241a25173559350c36707 Mon Sep 17 00:00:00 2001 From: Chenggong Date: Tue, 5 Dec 2023 16:02:37 +0100 Subject: [PATCH] count_nojump.py with general membrane --- test/01-NaK2K/1-Charmm/dry/count_nojump/membrane.json | 9 +++++++++ 1 file changed, 9 insertions(+) create mode 100644 test/01-NaK2K/1-Charmm/dry/count_nojump/membrane.json 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" +}