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tsoc
openmm
Commits
32b0ed47
"platforms/vscode:/vscode.git/clone" did not exist on "2d7fb3552cc66e4caf855d4a182ff236599da03c"
Commit
32b0ed47
authored
Mar 19, 2020
by
peastman
Browse files
Shortened some more CHARMM parameters
parent
95c223c6
Changes
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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 @
32b0ed47
...
...
@@ -253,13 +253,13 @@ class CharmmParameterSet(object):
if
line
.
startswith
(
'BOND'
):
section
=
'BONDS'
continue
if
line
.
startswith
(
'ANGL'
)
or
line
.
startswith
(
'THET
A
'
):
if
line
.
startswith
(
'ANGL'
)
or
line
.
startswith
(
'THET'
):
section
=
'ANGLES'
continue
if
line
.
startswith
(
'DIHE'
)
or
line
.
startswith
(
'PHI'
):
section
=
'DIHEDRALS'
continue
if
line
.
startswith
(
'IMPR'
)
or
line
.
startswith
(
'IMPH
I
'
):
if
line
.
startswith
(
'IMPR'
)
or
line
.
startswith
(
'IMPH'
):
section
=
'IMPROPER'
continue
if
line
.
startswith
(
'CMAP'
):
...
...
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