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mrdna
Commits
86565771
Commit
86565771
authored
Aug 13, 2019
by
cmaffeo2
Browse files
Extended WLCSKBond
parent
d150e38e
Changes
1
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Inline
Side-by-side
mrdna/segmentmodel.py
View file @
86565771
...
...
@@ -1648,7 +1648,7 @@ class SegmentModel(ArbdModel):
assert
(
d
>
0.2
)
if
key
not
in
self
.
_bonded_potential
:
kT
=
self
.
temperature
*
0.0019872065
# kcal/mol
self
.
_bonded_potential
[
key
]
=
WLCSKBond
(
d
,
lp
,
kT
)
self
.
_bonded_potential
[
key
]
=
WLCSKBond
(
d
,
lp
,
kT
,
rRange
=
(
0
,
1200
)
)
return
self
.
_bonded_potential
[
key
]
def
_get_wlc_sk_angle_potential
(
self
,
d
):
...
...
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