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tsoc
openmm
Commits
681f601b
Commit
681f601b
authored
Apr 16, 2013
by
Peter Eastman
Browse files
Fixed bug that caused some TOP files to fail
parent
0307a0db
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wrappers/python/simtk/openmm/app/gromacstopfile.py
wrappers/python/simtk/openmm/app/gromacstopfile.py
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wrappers/python/simtk/openmm/app/gromacstopfile.py
View file @
681f601b
...
...
@@ -576,7 +576,7 @@ class GromacsTopFile(object):
dihedralType
=
fields
[
4
]
reversedTypes
=
types
[::
-
1
]
+
(
dihedralType
,)
types
=
types
+
(
dihedralType
,)
if
(
dihedralType
in
(
'1'
,
'2'
)
and
len
(
fields
)
>
7
)
or
(
dihedralType
==
'3'
and
len
(
fields
)
>
10
):
if
(
dihedralType
in
(
'1'
,
'2'
,
'4'
,
'9'
)
and
len
(
fields
)
>
7
)
or
(
dihedralType
==
'3'
and
len
(
fields
)
>
10
):
paramsList
=
[
fields
]
else
:
# Look for a matching dihedral type.
...
...
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