Just I heard that molecular mechanics proton proton transfer should be soon implemented in gromacs. That's why I am, asking it.
2011/1/27 Mark Abraham <mark.abra...@anu.edu.au> > On 27/01/2011 9:44 PM, Olga Ivchenko wrote: > >> Dear gromacs users, >> >> I want to ask if is it possible to amke proton proton exchange simulations >> by now and constant pH simulations in new versions of Gromacs. >> > > Not sure what you mean, but probably not. See recent publications from > Lindahl group for what is possible. > > 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 >
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