trjorder might be of some help to deal with the exchange events. Best, João
On Sun, Sep 1, 2013 at 5:28 PM, Albert <mailmd2...@gmail.com> wrote: > On 09/01/2013 06:03 PM, Justin Lemkul wrote: > >> Maybe g_msd or g_rmsf, but I don't think there's anything specifically >> designed to address water molecules, and the term "flexibility" can have >> far too many meanings ;) >> >> -Justin >> > > > thanks a lot for kind messages. > > but there are a lot of water molecules in those region. Moreover, those > water molecules can exchange with bulk environment. In this case, it would > be very difficult to use g_msd or g_rmsf for this purpose..... > > I don't know which tool or which method would be good to describe this > observation... > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> > -- João M. Damas PhD Student Protein Modelling Group ITQB-UNL, Oeiras, Portugal Tel:+351-214469613 -- 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
