OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it truly unique among simulation codes. This release differs from the Main OpenMM release as it contains a softcore VDW for lambda based free energy simulations. In addition, we have released an updated version of tinker dynamic_omm.x for runing simulations using tinker.To install this, move the contents of the online folder http://biomol.bme.utexas.edu/~mh43854/openmm/tinker into the source directory of a tinker installation( available at http://dasher.wustl.edu/tinker/). Modify the makefile so that all directories point to the appropriate location, and then make. documentation specific to this release is available at http://biomol.bme.utexas.edu/wiki/index.php/Research_ex:Openmm
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- Travis CI
linuxandosxintegration tests:- GitHub master
openmm-devrecipe
- GitHub master
- Anaconda Cloud
openmmconda release: - Anaconda Cloud
openmm-devconda package:
