Hi Leila, I am also have a task to calculate H-bonds frequency through the over all trajectory in gromacs. Please can you send me Justin's script. If he does not mind.
Yours sincerely, Olga 2010/11/29 leila karami <karami.lei...@gmail.com> > Dear Mark and gromacs users > > thanks for your time and consideration. > > you said by multiplying the existence functions for hbonds between protein > and water and the hbonds between water > and DNA, then using Justin's script, I can obtain percentage each water > medited hydrogen bond during trajectory. > > and also you said I need to create a corresponding index file too. > > I don't know where should I start for multiply two existence functions? > > please explain about it more. > > any help will highly appreciated. > > > > > > > -- > > Leila Karami > Ph.D. student of Physical Chemistry > K.N. Toosi University of Technology > Theoretical Physical Chemistry Group > > > > -- > 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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