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Commit 8df1e310 authored by Kyle Beauchamp's avatar Kyle Beauchamp
Browse files

More fixes to file paths

parent 9ab6603b
...@@ -95,7 +95,7 @@ in the new window. ...@@ -95,7 +95,7 @@ in the new window.
If you plan to use the CUDA platform, OpenMM also needs to locate the CUDA 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 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 location, you can set OPENMM_CUDA_COMPILER to tell OpenMM where to find it. For
example, example,
:: ::
...@@ -174,7 +174,7 @@ the new window. ...@@ -174,7 +174,7 @@ the new window.
If you plan to use the CUDA platform, OpenMM also needs to locate the CUDA 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 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 location, you can set OPENMM_CUDA_COMPILER to tell OpenMM where to find it. For
example, example,
:: ::
...@@ -197,8 +197,8 @@ Installing on Windows ...@@ -197,8 +197,8 @@ Installing on Windows
********************* *********************
1. Download the pre-compiled binary of OpenMM for Windows, then double click the 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 .zip file to expand it. Move the files to :file:`C:\\Program Files\\OpenMM`. (On 64 bit
Windows, use C:\\Program Files (x86)\\OpenMM). 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 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 work) installed on your computer. To do this, launch the Python program (either
...@@ -248,7 +248,7 @@ your PATH. ...@@ -248,7 +248,7 @@ your PATH.
dir C:\py* 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 location. You will need to enter it, along with the location of the OpenMM
libraries, later in this process. libraries, later in this process.
...@@ -257,7 +257,7 @@ your PATH. ...@@ -257,7 +257,7 @@ your PATH.
* Click on the Advanced tab or the Advanced system settings link * Click on the Advanced tab or the Advanced system settings link
* Click Environment Variables * Click Environment Variables
* Under System variables, select the line for Path and click Edit…” * 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 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 PATH, enter their directory locations here. Directory locations need to be
separated by semi-colons (;). separated by semi-colons (;).
...@@ -265,8 +265,8 @@ your PATH. ...@@ -265,8 +265,8 @@ your PATH.
If you installed OpenMM somewhere other than the default location, you must also 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 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 not set, it will assume plugins are in the default location (:file:`C:\\Program
Files\\OpenMM\\lib\\plugins or C:\\Program Files (x86)\\OpenMM\\lib\\plugins). 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 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 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 ...@@ -328,8 +328,8 @@ on setting up the window to use OpenMM). Navigate to the “examples” folder
cd <examples_directory> cd <examples_directory>
where the typical directory is :code:`/usr/local/openmm/examples` on Linux where the typical directory is :file:`/usr/local/openmm/examples` on Linux
and Mac machines and \ :code:`C:\\Program Files\\OpenMM\\examples` on Windows and Mac machines and :file:`C:\\Program Files\\OpenMM\\examples` on Windows
machines. machines.
Then type Then type
...@@ -566,8 +566,8 @@ which stores all the force field parameters directly in a prmtop file, Gromacs j ...@@ -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 references to force field definition files that are installed with the Gromacs
application. OpenMM needs to know where to find these files, so the application. OpenMM needs to know where to find these files, so the
:code:`includeDir` parameter specifies the directory containing them. If you :code:`includeDir` parameter specifies the directory containing them. If you
omit this parameter, OpenMM will assume the default location omit this parameter, OpenMM will assume the default location :file:`/usr/local/gromacs/share/gromacs/top`,
/usr/local/gromacs/share/gromacs/top, which is often where they are installed on which is often where they are installed on
Unix-like operating systems. So in :numref:`Example,Gromacs example` we actually could have omitted 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, this parameter, but if the Gromacs files were installed in any other location,
we would need to include it. we would need to include it.
...@@ -620,7 +620,7 @@ The following lines specify to use the CUDA Platform: ...@@ -620,7 +620,7 @@ The following lines specify to use the CUDA Platform:
platform = Platform.getPlatformByName('CUDA') platform = Platform.getPlatformByName('CUDA')
simulation = Simulation(prmtop.topology, system, integrator, platform) 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`\ . :code:`Reference`\ .
You also can specify Platform-specific properties that customize how You also can specify Platform-specific properties that customize how
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