-ac: average over all autocorrelations of the existence functions (either 0 or 1) of all hydrogen bonds.
Program collect the data 0 or 1 along time? nilesh > On 4/14/13 7:21 PM, Nilesh Dhumal wrote: >> Hello, >> >> I am calculating the hyrogen bond life time my system using g_hbond in >> Gromacs. Program calculate the hydrogen bond life time from the >> autocorrelation function. Program calculate the hydrogen bond >> autocorrelation function with the hydrogen bond criteria. >> What quantity program use such as distance between donor-acceptor, to >> calculate the autocorrelation function? >> > > This is an adjustable option. Please read g_hbond -h. > > -Justin > > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > 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 > -- 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
