On Wed, Sep 22, 2010 at 7:47 PM, Paymon Pirzadeh <ppirz...@ucalgary.ca> wrote: > Well, I found a paper: J. Chem Phys. Vol. 131, 155103 (2009) in which > they have used GROMACS and its utilities to calculate the correlation > functions I need, however, it is not clear to me what utilities were > used and what steps were taken. Since They are using the N-H vector, it > is only two points.
I believe the third point is another "N" or "H" site of the same protein. Vitaly -- 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
