Skip to content

GitLab

Unverified Commit f8736c60 authored by peastman's avatar peastman Committed by GitHub
Browse files

Merge pull request #2044 from JoaoRodrigues/switchfix 

Fixed reference to self.force when using a switch function for LJ
parents 31d0993f b571e82c
Show whitespace changes
Inline Side-by-side
Showing with 2 additions and 2 deletions
wrappers/python/simtk/openmm/app/forcefield.py
View file @ f8736c60
...@@ -2448,8 +2448,8 @@ class LennardJonesGenerator(object): ...@@ -2448,8 +2448,8 @@ class LennardJonesGenerator(object):
else: else:
raise AssertionError('Unrecognized nonbonded method [%s]' % nonbondedMethod) raise AssertionError('Unrecognized nonbonded method [%s]' % nonbondedMethod)
if args['switchDistance'] is not None: if args['switchDistance'] is not None:
force.setUseSwitchingFunction(True) self.force.setUseSwitchingFunction(True)
force.setSwitchingDistance(args['switchDistance']) self.force.setSwitchingDistance(args['switchDistance'])
# Add the particles # Add the particles
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment