Hi, Currently there is no concrete plan to implement FEP on GPUs. AFAIK there is an OpenMM plugin which could be integrated, but I surely don't have time to work on that and I don't know of anyone else working on it. Contribution would be welcome, though!
Regards, -- Szilárd On Thu, Nov 11, 2010 at 4:49 PM, TJ Mustard <[email protected]> wrote: > Hi all, > > > > Our group is doing FEP calculations and finding that we need to run alot of > simulations for a long time to get accurate results. We would love to see > FEP on GPU as this would help us increase our computational power without > buying a new expensive cluster. I would be happy to be a/the guinea pig on > this one. > > > > Thank you, > > TJ Mustard > Email: [email protected] > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
