Hello, I am trying to calculate the velocity autocorrelation function of OH bond in glucose molecule.
The calculate velocity autocorrelation function is not smooth. Its fluctuating a lot so I am geting wide/think line. Why I am not geting a smooth line? I am using gromacs version 4.0.7. Thanks Nilesh -- 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
