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tsoc
openmm
Commits
6f80b44e
Commit
6f80b44e
authored
Apr 05, 2017
by
Lee-Ping Wang
Browse files
Added user guide and bibliography entry
parent
f79d1203
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docs-source/usersguide/application.rst
docs-source/usersguide/application.rst
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docs-source/usersguide/references.bib
docs-source/usersguide/references.bib
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docs-source/usersguide/application.rst
View file @
6f80b44e
...
@@ -725,6 +725,8 @@ File Force Field
...
@@ -725,6 +725,8 @@ File Force Field
:
code
:`
amber99sbnmr
.
xml
`
Amber99SB
with
modifications
to
fit
NMR
data
\
:
cite
:`
Li2010
`
:
code
:`
amber99sbnmr
.
xml
`
Amber99SB
with
modifications
to
fit
NMR
data
\
:
cite
:`
Li2010
`
:
code
:`
amber03
.
xml
`
Amber03
\
:
cite
:`
Duan2003
`
:
code
:`
amber03
.
xml
`
Amber03
\
:
cite
:`
Duan2003
`
:
code
:`
amber10
.
xml
`
Amber10
(
documented
in
the
AmberTools_
manual
as
`
ff10
`)
:
code
:`
amber10
.
xml
`
Amber10
(
documented
in
the
AmberTools_
manual
as
`
ff10
`)
:
code
:`
amberfb15
.
xml
`
AMBER
-
FB15
\
:
cite
:`
Wang2017
`.
Intramolecular
parameters
optimized
with
ForceBalance
using
high
-
level
ab
initio
data
.
:
code
:`
amoeba2009
.
xml
`
AMOEBA
2009
\
:
cite
:`
Ren2002
`.
This
force
field
is
deprecated
.
It
is
:
code
:`
amoeba2009
.
xml
`
AMOEBA
2009
\
:
cite
:`
Ren2002
`.
This
force
field
is
deprecated
.
It
is
recommended
to
use
AMOEBA
2013
instead
.
recommended
to
use
AMOEBA
2013
instead
.
:
code
:`
amoeba2013
.
xml
`
AMOEBA
2013
\
:
cite
:`
Shi2013
`
:
code
:`
amoeba2013
.
xml
`
AMOEBA
2013
\
:
cite
:`
Shi2013
`
...
...
docs-source/usersguide/references.bib
View file @
6f80b44e
...
@@ -495,3 +495,15 @@
...
@@ -495,3 +495,15 @@
year = {2014},
year = {2014},
type = {Journal Article}
type = {Journal Article}
}
}
@article
{
Wang2017
author
=
{Wang,
Lee-Ping
and
McKiernan,
Keri
A.
and
Gomes,
Joseph
and
Beauchamp,
Kyle
A.
and
Head-Gordon,
Teresa
and
Rice,
Julia
E.
and
Swope,
William
C.
and
Martínez,
Todd
J.
and
Pande,
Vijay
S.
}
,
title = {Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15},
journal = {Journal of Physical Chemistry B},
volume = {0},
number = {ja},
pages = {null},
year = {2017},
type = {Journal Article}
doi = {10.1021/acs.jpcb.7b02320},
}
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