Skip to content
GitLab
Menu
Projects
Groups
Snippets
/
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
tbgl
tools
mrdna
Commits
00beb7c6
Commit
00beb7c6
authored
Jul 20, 2018
by
cmaffeo2
Browse files
Fixed factor of two error in non-bonded forces
parent
03465092
Changes
1
Hide whitespace changes
Inline
Side-by-side
nbPot.py
View file @
00beb7c6
...
...
@@ -95,7 +95,6 @@ class nbDnaScheme(NonbondedScheme):
if
typeA
.
name
[
0
]
==
"O"
or
typeB
.
name
[
0
]
==
"O"
:
u
=
np
.
zeros
(
np
.
shape
(
r
))
else
:
# u = nbPot.nbPot(r, typeA.nts*2, typeB.nts*2)
u
=
nbPot
(
r
,
typeA
.
nts
,
typeB
.
nts
)
u
=
nbPot
(
r
,
0.5
*
typeA
.
nts
,
0.5
*
typeB
.
nts
)
return
u
nbDnaScheme
=
nbDnaScheme
()
Write
Preview
Supports
Markdown
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment