I'm not sure, since actually kinetic energy should have fluctuation, and the v-rescaling may suppress the fluctuation..
2010/12/25 ms <deviceran...@gmail.com> > On 25/12/10 02:12, Qin Qiao wrote: > >> Thanks a lot! >> >> It says Nose-hoover coupling generates the correct canonical ensemble, and >> that's the reason why I used it. I wonder whether v-rescale can also get >> the >> correct ensemble. Could you tell me? >> > > As far as I know v-rescale should generate a correct ensemble. > > > -- > Massimo Sandal, Ph.D. > http://devicerandom.org > -- > 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 >
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