[Openmm-news] OpenMM 4.1 now available

[Joy P. Ku]

We are pleased to announce the release of OpenMM 4.1.  This latest release
provides a number of bug fixes, optimizations, and new features,
including:

 

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,
Python-based interface.

 

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, Simbios

 <http://simbios.stanford.edu> http://simbios.stanford.edu

 

Director of Communications & Training,

National Center for Simulation in Rehabilitation Research

 <http://opensim.stanford.edu> http://opensim.stanford.edu

 

(W)  650.736.8434, (F)  650.723.7461

Email:   <mailto:joyku at stanford.edu> joyku at stanford.edu

 

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