[Openmm-news] OpenMM 4.1 now available
Joy P. Ku
joyku at stanford.edu
Tue May 22 16:12:41 PDT 2012
We are pleased to announce the release of OpenMM 4.1. This latest release
provides a number of bug fixes, optimizations, and new features,
Model building tools: You can now add hydrogen atoms, add solvent, and
make other changes to your PDB file all within OpenMM. The results can
immediately be used to run a simulation in OpenMM. This extends the
capabilities of OpenMM's new application layer - an easy-to-use,
Custom integrators: In addition to creating custom forces, with OpenMM
4.1, you can now implement a wide range of integration methods.
Virtual sites: You can now create virtual massless particles, whose
position is computed from the positions of other particles rather than
from integration the equations of motions.
Support for new water models: TIP4P-E2 and TIP5P water models are now
available in OpenMM.
You can download the latest version from http://simtk.org/home/openmm.
Click on "Downloads."
Joy P. Ku, PhD
Director of Communications & Training,
National Center for Simulation in Rehabilitation Research
(W) 650.736.8434, (F) 650.723.7461
Email: <mailto:joyku at stanford.edu> joyku at stanford.edu
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