Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
tsoc
openmm
Commits
7ccab818
Commit
7ccab818
authored
Jan 02, 2016
by
John Chodera (MSKCC)
Browse files
Fix bug in _AtomType instantiation in ForceField.
parent
8190f59a
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
1 addition
and
1 deletion
+1
-1
wrappers/python/simtk/openmm/app/forcefield.py
wrappers/python/simtk/openmm/app/forcefield.py
+1
-1
No files found.
wrappers/python/simtk/openmm/app/forcefield.py
View file @
7ccab818
...
...
@@ -223,7 +223,7 @@ class ForceField(object):
element
=
parameters
[
'element'
]
if
not
isinstance
(
element
,
elem
.
Element
):
element
=
elem
.
get_by_symbol
(
element
)
self
.
_atomTypes
[
name
]
=
_AtomType
(
name
,
atomClass
,
mass
,
element
)
self
.
_atomTypes
[
name
]
=
ForceField
.
_AtomType
(
name
,
atomClass
,
mass
,
element
)
if
atomClass
in
self
.
_atomClasses
:
typeSet
=
self
.
_atomClasses
[
atomClass
]
else
:
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment