Dear Justin, Thank you very much.
best, Olga 2010/11/29 Justin A. Lemkul <jalem...@vt.edu> > > > Olga Ivchenko wrote: > >> 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. >> >> > I have several analysis scripts available to the public on my website: > > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/scripts.html > > -Justin > > Yours sincerely, >> Olga >> >> 2010/11/29 leila karami <karami.lei...@gmail.com <mailto: >> 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 >> <mailto: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 >> <mailto:gmx-users-requ...@gromacs.org>. >> >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > 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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