[Openmm-news] OpenMM version 5.2

Joy P. Ku joyku at stanford.edu
Thu Oct 17 11:00:24 PDT 2013


We are pleased to announce OpenMM version 5.2.   With this version, the
performance of simulations continues to improve.  See benchmarks at
http://wiki.simtk.org/openmm/BenchmarkOpenMMDHRF.  In addition, we have a
number of new features, including:


* Drude oscillators - enables incorporation of polarizable force fields 

* The MonteCarloAnisotropicBarostat  - allows the scaling of only one axis
of the periodic box during a Monte Carlo move, so the box can change shape
and size over the simulation

* Enhanced CustomNonbondedForce  -  you can now limit interactions to only
specific groups of particles, specify a long range truncation correction,
and more

* Enhanced NonbondedForce - now supports a switching function with
Lennard-Jones interactions, which is useful when very precise energy
conservation is needed
* Support on Intel's integrated GPU core -  the OpenCL platform can now
run on the integrated GPU cores on recent Intel processors running Windows


For a full list of features and bug fixes or to download the latest
version, visit  <https://simtk.org/project/xml/downloads.xml?group_id=161>





Joy P. Ku, PhD

Director,   <http://simbios.stanford.edu/> Simbios

Director of Communications & Training,  <http://opensim.stanford.edu/>

Stanford University


(w)  650.736.8434, (f)  650.723.7461

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


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