I used the REMD temperature generator. Needless to say, we got really tight spacing and the enhancement to the sampling was probably small. The whole setup was pretty experimental. The run was completed.
Erik On 9 Apr 2013, at 10:01, Nikunj Maheshwari <nixcrazyfor...@gmail.com> wrote: > How did you get the final temperature spacing for the run? Did you get the > fitted values using polynomial fit? > Was the run completed? > > On Tue, Apr 9, 2013 at 1:27 PM, Erik Marklund <er...@xray.bmc.uu.se> wrote: > >> I've tried one with 666 aa, but with no publishable results. >> >> On 9 Apr 2013, at 09:47, Nikunj Maheshwari <nixcrazyfor...@gmail.com> >> wrote: >> >>> Dear all... >>> >>> Does anyone has any idea what is the maximum protein size for which a >>> successful REMD run has taken place? >>> We have went through lots of research papers, but could not find any >>> protein/peptide above 100 aa related to REMD. >>> We have a protein of 292 aa. >>> >>> Thanks. >>> -- >>> 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 >> >> -- >> 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 >> > -- > 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 -- 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
