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tsoc
openmm
Commits
2da337e9
"serialization/src/XmlSerializer.cpp" did not exist on "6ddebdb28b4a19e9496e86b8e509617407df8e3d"
Unverified
Commit
2da337e9
authored
Feb 28, 2021
by
Jason Swails
Committed by
GitHub
Feb 28, 2021
Browse files
Trap Amber CMAPs (#3041)
parent
36198f93
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wrappers/python/openmm/app/internal/amber_file_parser.py
wrappers/python/openmm/app/internal/amber_file_parser.py
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wrappers/python/openmm/app/internal/amber_file_parser.py
View file @
2da337e9
...
...
@@ -132,6 +132,8 @@ class PrmtopLoader(object):
raise
TypeError
(
'CHAMBER-style topology files are not supported here. '
'Consider using the CHARMM files directly with CharmmPsfFile '
'or ParmEd (where CHAMBER topologies are supported)'
)
if
'CMAP'
in
flag
:
raise
TypeError
(
"CMAP terms in AMBER topology files are not supported. You can use ParmEd instead"
)
self
.
_flags
.
append
(
flag
)
self
.
_raw_data
[
flag
]
=
[]
elif
line
.
startswith
(
'%FORMAT'
):
...
...
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