[Openmm-team] OpenMM status ?

Vijay Pande pande at stanford.edu
Wed Dec 3 16:52:59 PST 2008


Hi,

We are working towards a release, but it's possible that we could  
give you a preview copy if you're interested.  It would have a more  
restrictive license (you can't distribute the code and we'd have to  
talk about publication issues), but you could certainly check it out.

The main issue is that we would like to get our paper out describing  
OpenMM out before releasing the code, so that academics will have  
something to cite to give credit to the OpenMM team for their work.

Let me know if you think that might work.

Regards,

Vijay

Vijay Pande
Associate Professor of Chemistry and, by courtesy, of Structural  
Biology (Admin:  Terri Fedelin,  terrif at stanford.edu)
Chair, Biophysics Program (Admin: Kathleen Guan, kguan at stanford.edu)
Director, Folding at home Distributed Computing Project

On Dec 3, 2008, at 3:18 PM, Chris Samuel wrote:

> Hi all,
>
> First of all thanks so much for doing such a potentially
> exciting project!
>
> We have a (southern hemisphere) summer student programme
> that has just started at VPAC which is investigating the
> potential for GPGPU in the Life Sciences [1], and we've
> flagged OpenMM as a project of interest to them due to
> the fact that it is intended to be GPU hardware agnostic
> (which is important to us).
>
> We were wondering if there was any more thoughts on an
> ETA yet to help us plan out when they might look at it ?
>
> Obviously we'd want them to contribute back what they
> find to you too!
>
> All the best,
> Chris
>
> [1] - It's more than just that, they're looking at usability,
> levels of effort and reward for different approaches,
> applicability to our clusters, pain threshold, etc.. ;-)
>
> -- 
> Christopher Samuel - (03) 9925 4751 - Systems Manager
>  The Victorian Partnership for Advanced Computing
>  P.O. Box 201, Carlton South, VIC 3053, Australia
> VPAC is a not-for-profit Registered Research Agency
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