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Unverified Commit 2da337e9 authored by Jason Swails's avatar Jason Swails Committed by GitHub
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Trap Amber CMAPs (#3041)

parent 36198f93
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wrappers/python/openmm/app/internal/amber_file_parser.py
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...@@ -132,6 +132,8 @@ class PrmtopLoader(object): ...@@ -132,6 +132,8 @@ class PrmtopLoader(object):
raise TypeError('CHAMBER-style topology files are not supported here. ' raise TypeError('CHAMBER-style topology files are not supported here. '
'Consider using the CHARMM files directly with CharmmPsfFile ' 'Consider using the CHARMM files directly with CharmmPsfFile '
'or ParmEd (where CHAMBER topologies are supported)') '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._flags.append(flag)
self._raw_data[flag] = [] self._raw_data[flag] = []
elif line.startswith('%FORMAT'): elif line.startswith('%FORMAT'):
......
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