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tsoc
openmm
Commits
25ea315c
Commit
25ea315c
authored
Apr 24, 2014
by
peastman
Browse files
Merge pull request #420 from kyleabeauchamp/docfix
Fixing some sphinx doc typos
parents
ed03c83f
8df1e310
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docs/usersguide/application.rst
docs/usersguide/application.rst
+13
-13
docs/usersguide/introduction.rst
docs/usersguide/introduction.rst
+1
-1
docs/usersguide/library.rst
docs/usersguide/library.rst
+1
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docs/usersguide/application.rst
View file @
25ea315c
...
...
@@ -95,7 +95,7 @@ in the new window.
If
you
plan
to
use
the
CUDA
platform
,
OpenMM
also
needs
to
locate
the
CUDA
kernel
compiler
(
nvcc
).
By
default
it
looks
for
it
in
the
location
/
usr
/
local
/
cuda
/
bin
/
nvcc
.
If
you
have
installed
the
CUDA
toolkit
in
a
different
:
file
:`
/
usr
/
local
/
cuda
/
bin
/
nvcc
`
.
If
you
have
installed
the
CUDA
toolkit
in
a
different
location
,
you
can
set
OPENMM_CUDA_COMPILER
to
tell
OpenMM
where
to
find
it
.
For
example
,
::
...
...
@@ -174,7 +174,7 @@ the new window.
If
you
plan
to
use
the
CUDA
platform
,
OpenMM
also
needs
to
locate
the
CUDA
kernel
compiler
(
nvcc
).
By
default
it
looks
for
it
in
the
location
/
usr
/
local
/
cuda
/
bin
/
nvcc
.
If
you
have
installed
the
CUDA
toolkit
in
a
different
:
file
:`
/
usr
/
local
/
cuda
/
bin
/
nvcc
`
.
If
you
have
installed
the
CUDA
toolkit
in
a
different
location
,
you
can
set
OPENMM_CUDA_COMPILER
to
tell
OpenMM
where
to
find
it
.
For
example
,
::
...
...
@@ -197,8 +197,8 @@ Installing on Windows
*********************
1.
Download
the
pre
-
compiled
binary
of
OpenMM
for
Windows
,
then
double
click
the
.
zip
file
to
expand
it
.
Move
the
files
to
C
:\\
Program
Files
\\
OpenMM
.
(
On
64
bit
Windows
,
use
C
:\\
Program
Files
(
x86
)\\
OpenMM
).
.
zip
file
to
expand
it
.
Move
the
files
to
:
file
:`
C
:\\
Program
Files
\\
OpenMM
`
.
(
On
64
bit
Windows
,
use
:
file
:`
C
:\\
Program
Files
(
x86
)\\
OpenMM
`
).
2.
Make
sure
you
have
the
32
-
bit
version
of
Python
3.3
(
other
versions
will
not
work
)
installed
on
your
computer
.
To
do
this
,
launch
the
Python
program
(
either
...
...
@@ -248,7 +248,7 @@ your PATH.
dir
C
:\
py
*
The
files
are
typically
located
in
a
directory
like
C
:\\
Python33
.
Remember
this
The
files
are
typically
located
in
a
directory
like
:
file
:`
C
:\\
Python33
`
.
Remember
this
location
.
You
will
need
to
enter
it
,
along
with
the
location
of
the
OpenMM
libraries
,
later
in
this
process
.
...
...
@@ -257,7 +257,7 @@ your PATH.
*
Click
on
the
“
Advanced
”
tab
or
the
“
Advanced
system
settings
”
link
*
Click
“
Environment
Variables
”
*
Under
“
System
variables
,
”
select
the
line
for
“
Path
”
and
click
“
Edit
…”
*
Add
C
:\\
Program
Files
\\
OpenMM
\\
lib
and
C
:\\
Program
Files
\\
OpenMM
\\
lib
\\
plugins
*
Add
:
file
:`
C
:\\
Program
Files
\\
OpenMM
\\
lib
`
and
:
file
:`
C
:\\
Program
Files
\\
OpenMM
\\
lib
\\
plugins
`
to
the
“
Variable
value
”
.
If
you
also
need
to
add
Python
or
FFTW
to
your
PATH
,
enter
their
directory
locations
here
.
Directory
locations
need
to
be
separated
by
semi
-
colons
(;).
...
...
@@ -265,8 +265,8 @@ your PATH.
If
you
installed
OpenMM
somewhere
other
than
the
default
location
,
you
must
also
set
OPENMM_PLUGIN_DIR
to
point
to
the
plugins
directory
.
If
this
variable
is
not
set
,
it
will
assume
plugins
are
in
the
default
location
(
C
:\\
Program
Files
\\
OpenMM
\\
lib
\\
plugins
or
C
:\\
Program
Files
(
x86
)\\
OpenMM
\\
lib
\\
plugins
).
not
set
,
it
will
assume
plugins
are
in
the
default
location
(
:
file
:`
C
:\\
Program
Files
\\
OpenMM
\\
lib
\\
plugins
`
or
:
file
:`
C
:\\
Program
Files
(
x86
)\\
OpenMM
\\
lib
\\
plugins
`
).
7.
Verify
your
installation
by
running
the
“
testInstallation
.
py
”
script
found
in
the
“
examples
”
folder
of
your
OpenMM
installation
.
To
run
it
,
open
a
command
...
...
@@ -328,8 +328,8 @@ on setting up the window to use OpenMM). Navigate to the “examples” folder
cd
<
examples_directory
>
where
the
typical
directory
is
:
cod
e
:`/
usr
/
local
/
openmm
/
examples
`
on
Linux
and
Mac
machines
and
“
\
:
cod
e
:`
C
:\\
Program
Files
\\
OpenMM
\\
examples
”
`
on
Windows
where
the
typical
directory
is
:
fil
e
:`/
usr
/
local
/
openmm
/
examples
`
on
Linux
and
Mac
machines
and
:
fil
e
:`
C
:\\
Program
Files
\\
OpenMM
\\
examples
`
on
Windows
machines
.
Then
type
...
...
@@ -566,8 +566,8 @@ which stores all the force field parameters directly in a prmtop file, Gromacs j
references
to
force
field
definition
files
that
are
installed
with
the
Gromacs
application
.
OpenMM
needs
to
know
where
to
find
these
files
,
so
the
:
code
:`
includeDir
`
parameter
specifies
the
directory
containing
them
.
If
you
omit
this
parameter
,
OpenMM
will
assume
the
default
location
/
usr
/
local
/
gromacs
/
share
/
gromacs
/
top
,
which
is
often
where
they
are
installed
on
omit
this
parameter
,
OpenMM
will
assume
the
default
location
:
file
:`/
usr
/
local
/
gromacs
/
share
/
gromacs
/
top
`,
which
is
often
where
they
are
installed
on
Unix
-
like
operating
systems
.
So
in
:
numref
:`
Example
,
Gromacs
example
`
we
actually
could
have
omitted
this
parameter
,
but
if
the
Gromacs
files
were
installed
in
any
other
location
,
we
would
need
to
include
it
.
...
...
@@ -620,7 +620,7 @@ The following lines specify to use the CUDA Platform:
platform
=
Platform
.
getPlatformByName
(
'CUDA'
)
simulation
=
Simulation
(
prmtop
.
topology
,
system
,
integrator
,
platform
)
The
Platform
name
should
be
:
code
:`
OpenCL
`\
,
:
code
:`
CUDA
`\
,
or
The
Platform
name
should
be
:
code
:`
OpenCL
`\
,
:
code
:`
CUDA
`\
,
:
code
:`
CPU
`\,
or
:
code
:`
Reference
`\
.
You
also
can
specify
Platform
-
specific
properties
that
customize
how
...
...
docs/usersguide/introduction.rst
View file @
25ea315c
...
...
@@ -11,7 +11,7 @@ OpenMM consists of two parts:
to run simulations
This guide is d
e
vided into three sections:
This guide is d
i
vided into three sections:
* Part I (Chapters :ref:`the-openmm-application-layer-introduction`\ -\ :ref:`creating-force-fields`\ )
describes the application layer. It is relevant to all users, but especially relevant to people
...
...
docs/usersguide/library.rst
View file @
25ea315c
...
...
@@ -2733,7 +2733,7 @@ Multiplication or division of two Units results in a composite Unit.
mps = meter / second
Unlike amount (moles), angle (radians) is arguably dimensionless. Butsimtk.unit
Unlike amount (moles), angle (radians) is arguably dimensionless. But
simtk.unit
treats angle as another dimension. Use the trigonometric functions from the
simtk.unit module (not those from the Python math module!) when dealing with
Units and Quantities.
...
...
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