Dear GMX developers, Thanks so much for the GMX 4.6 release. Testing on GPUs has shown impressive speed-ups.
I have a question however, regarding the missing "switching and shifting" for non-bonded interactions. I looked at the developer zone website and saw this comment below: http://www.gromacs.org/Developer_Zone/Roadmap/GROMACS_4.6 * Features currently not supported by the new GPU and SSE kernels: ** Switch and shift interactions (but those are not important, as there is an exact cut-off) While the statement maybe true that they are not "important", some force fields are very particular about the use of switching and shifting, as it is integral to the FF development. So to my question, is there a timeframe for these features being implemented? I realized things like this take time, so I am merely asking out of curiosity. Best regards, Jesper -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
