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tsoc
openmm
Commits
0af25daf
Commit
0af25daf
authored
May 29, 2014
by
Jason Swails
Browse files
Small tweak to fix parsing of par_all36_carb.prm ... not sure why this file is
different from _all_ of the others.
parent
ba5e21ff
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wrappers/python/simtk/openmm/app/charmmparameterset.py
wrappers/python/simtk/openmm/app/charmmparameterset.py
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wrappers/python/simtk/openmm/app/charmmparameterset.py
View file @
0af25daf
...
@@ -241,6 +241,10 @@ class CharmmParameterSet(object):
...
@@ -241,6 +241,10 @@ class CharmmParameterSet(object):
if
line
.
startswith
(
'HBOND'
):
if
line
.
startswith
(
'HBOND'
):
section
=
None
section
=
None
continue
continue
# It seems like files? sections? can be terminated with 'END'
if
line
.
startswith
(
'END'
):
# should this be case-insensitive?
section
=
None
continue
# If we have no section, skip
# If we have no section, skip
if
section
is
None
:
continue
if
section
is
None
:
continue
# Now handle each section specifically
# Now handle each section specifically
...
...
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