From 0bb976b2bdf66814dd939003e4dbd8fb97ba806f Mon Sep 17 00:00:00 2001
From: Chebuu <49116863+Chebuu@users.noreply.github.com>
Date: Mon, 10 Feb 2020 12:19:29 -0600
Subject: [PATCH] fixed oniomxs example

A positional argument to 'class_type' is required by the AQMM super class.
---
 examples/oniomxs_example.py | 8 +++-----
 1 file changed, 3 insertions(+), 5 deletions(-)

diff --git a/examples/oniomxs_example.py b/examples/oniomxs_example.py
index 3ceff86..8308c35 100644
--- a/examples/oniomxs_example.py
+++ b/examples/oniomxs_example.py
@@ -7,9 +7,9 @@
 ll_wrapper = mm_wrapper.OpenMMWrapper(sys_info='water.pdb')
 
 # instantiate an OniomXS object, setting Rmin and Rmax to be different values
-p1 = qmmm.PAP(hl_wrapper, ll_wrapper, sys_info='water.pdb', Rmin=3.5, Rmax=4.0)
-p2 = qmmm.PAP(hl_wrapper, ll_wrapper, sys_info='water.pdb', Rmin=3.5, Rmax=4.5)
-p3 = qmmm.PAP(hl_wrapper, ll_wrapper, sys_info='water.pdb', Rmin=4.0, Rmax=5.0)
+p1 = qmmm.PAP('Oniom-XS', hl_wrapper, ll_wrapper, sys_info='water.pdb', Rmin=3.5, Rmax=4.0)
+p2 = qmmm.PAP('Oniom-XS', hl_wrapper, ll_wrapper, sys_info='water.pdb', Rmin=3.5, Rmax=4.5)
+p3 = qmmm.PAP('Oniom-XS', hl_wrapper, ll_wrapper, sys_info='water.pdb', Rmin=4.0, Rmax=5.0)
 
 # partition the QM and buffer zone atoms
 p1.find_buffer_zone()
@@ -35,5 +35,3 @@
 
 
 
-
-