[Openmm-news] Preview Release 4 of OpenMM now available

[Joy P. Ku]

Simbios is pleased to announce Preview Release 4 of OpenMM. 

 

This release adds support for:

-          Energy computations on GPUs

-          Ewald summation

-          A complete set of C and Fortran wrappers

-          A faster algorithm for handling constraints 

-          Many minor enhancements, including the option to select a
specific CUDA device to use and a default setting so that the CPU is
available for other computations when information is requested of the GPU

 

A theory guide with detailed descriptions of the force fields and
algorithms used in OpenMM is also available.

 

You can get the latest version of OpenMM from
http://simtk.org/home/openmm.

 

______________________________________________________

 

Joy P. Ku

Director of Dissemination

Simbios, Stanford University

 

(W) 650.736.8434 

(F) 650.723.7461

Email:  joyku at stanford.edu

Website:  http://simbios.stanford.edu

 

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