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tsoc
openmm
Commits
3685f2f3
Commit
3685f2f3
authored
Nov 11, 2011
by
Peter Eastman
Browse files
Bug fix
parent
bd8c49de
Changes
1
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wrappers/python/simtk/openmm/app/amberprmtopfile.py
wrappers/python/simtk/openmm/app/amberprmtopfile.py
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wrappers/python/simtk/openmm/app/amberprmtopfile.py
View file @
3685f2f3
...
@@ -91,7 +91,7 @@ class AmberPrmtopFile(object):
...
@@ -91,7 +91,7 @@ class AmberPrmtopFile(object):
ff
.
HBonds
:
'h-bonds'
,
ff
.
HBonds
:
'h-bonds'
,
ff
.
AllBonds
:
'all-bonds'
,
ff
.
AllBonds
:
'all-bonds'
,
ff
.
HAngles
:
'h-angles'
}
ff
.
HAngles
:
'h-angles'
}
if
constraints
==
ff
.
NoConstraints
:
if
constraints
is
None
:
constraintString
=
None
constraintString
=
None
elif
constraints
in
constraintMap
:
elif
constraints
in
constraintMap
:
constraintString
=
constraintMap
[
constraints
]
constraintString
=
constraintMap
[
constraints
]
...
...
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