Commit 14f17de5 authored by Michael Sherman's avatar Michael Sherman
Browse files

- Moved the workshop powerpoint slides from Zephyr to OpenMM/examples directory.

- updated the Readme file
parent 7b3c83a0
...@@ -89,3 +89,5 @@ INSTALL(FILES HelloArgonVS8/HelloArgon.vcproj ...@@ -89,3 +89,5 @@ INSTALL(FILES HelloArgonVS8/HelloArgon.vcproj
INSTALL(FILES HelloArgonInCVS8/HelloArgonInC.vcproj INSTALL(FILES HelloArgonInCVS8/HelloArgonInC.vcproj
HelloArgonInCVS8/HelloArgonInC.sln HelloArgonInCVS8/HelloArgonInC.sln
DESTINATION examples/VisualStudio2005) DESTINATION examples/VisualStudio2005)
INSTALL(FILES HelloOpenMM.ppt
DESTINATION examples)
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OpenMM(tm) Example programs and prototype C and Fortran wrappers OpenMM(tm) Example programs and prototype C and Fortran wrappers
June, 2009 for OpenMM Preview Release 3, June, 2009.
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See https://simtk.org/home/openmm.
For help go to the Advanced/Public Forums tab and post to the
"help" forum there.
OpenMM is part of SimTK, the Simbios simulation Toolkit, from the Simbios National Center for Physics-based Simulation of Biological Structures funded by the National Institutes of Health
through the NIH Roadmap for Medical Research, Grant U54 GM072970. Information on the National Centers for Biomedical Computing can be obtained here: http://nihroadmap.nih.gov/bioinformatics/.
OpenMM is developed under the supervision of Simbios P.I. Vijay Pande at Stanford. Any work that uses OpenMM should cite the following paper: M. S. Friedrichs, P. Eastman, V. Vaidyanathan, M. Houston, S. LeGrand, A. L. Beberg, D. L. Ensign, C. M. Bruns, V. S. Pande. “Accelerating Molecular Dynamic Simulation on Graphics Processing Units.” J. Comp. Chem., (2009), 30(6):864-872.
These simple "hello world" examples were developed by These simple "hello world" examples were developed by
Christopher Bruns and Michael Sherman for the OpenMM Christopher Bruns and Michael Sherman for the OpenMM
workshop on June 24, 2009 at Stanford. workshop on June 24, 2009 at Stanford.
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There are also two sets of prototype wrappers to enable C
and Fortran 95 to call the OpenMM API. However, even if In addition to the example programs here, there are also two sets of prototype wrappers to enable C and Fortran 95 to call the OpenMM API. However, even if your calling code is in C or Fortran, please consider instead writing your OpenMM-calling routines in C++, using 'extern "C"'
your calling code is in C or Fortran, please consider instead
writing your OpenMM-calling routines in C++, using 'extern "C"'
so that your main program can call them. If that isn't feasible so that your main program can call them. If that isn't feasible
for you, try out our prototype wrappers and let us know what for you, try out our prototype wrappers and let us know what
troubles or better ideas you have. troubles or better ideas you have. (Post to the OpenMM Forum
at the above URL.)
Building the examples
---------------------
This directory includes a Makefile suitable for building the
examples under Mac or Linux and possibly Cygwin, using the
gcc compiler suite. See MakefileNotes.txt for more info.
There is a subdirectory here providing Visual Studio "solutions"
for building HelloArgon in C++ or C. You will have to make your
own for the other examples or just substitute a different source
file for HelloArgon.cpp. We do not currently have a Visual Studio
project for building the Fortran examples.
HelloArgon (C++, C, Fortran 95) HelloArgon (C++, C, Fortran 95)
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