> Hello > > Does gmx provide any script to calculate autocorrelation function > for a defined bond (not hydrogen bond autocorrelation function,g_hbond) ? > > Thanks a lot for the information!
Assuming that you mean the aucorrelation function (ACF) of the bond length fluctuations around its equilibrium value, I do not think such functionality is provided thus far; but there are a billion of third-party codes capable to derive ACF out of the provided numeric dependency. Dr. Vitaly V. Chaban, 430 Hutchison Hall Dept. Chemistry, University of Rochester 120 Trustee Road, Rochester, NY 14627-0216 THE UNITED STATES OF AMERICA -- 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
