Yes, I got exchanges. By construction! :-) Email me off-list if you would like a methods description (for what it is worth).
Mark On Thu, Apr 25, 2013 at 1:11 PM, massimo sandal <deviceran...@gmail.com>wrote: > This hints at an interesting protocol/attempt, at least for a sort of > newbie like me. Can you elaborate? Did they exchange? > On 25 Apr 2013 13:06, "Mark Abraham" <mark.j.abra...@gmail.com> wrote: > > > Likewise, I agreed with what Massimo said. > > > > As an example, I recently did a fairly large set of REMD simulations of a > > 320-atom disordered peptide with rather more water and many fewer > replicas > > than you propose. I did so because I expected low barriers and large > > maximum diameter (the latter from an implicit-solvent REMD). Even after > the > > fact, I cannot demonstrate that my decisions were correct (and probably > > could not even if I could have produced clearly converged ensembles). > > > > Mark > > -- > > 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
