Hi, If an autocorrelation time is 7ps and you collect data every 20ps, can you observe the former correctly?
Mark On Fri, 1 Jul 2016 12:04 sun <sun.i...@gmail.com> wrote: > Hello > I have completed a protein ligand MD using Gromos43a1 and Gromacs v 5.0. I > want to know while using gmx analyze, autocorrelation graph between > eigenvectors is generated. However, the value is going sharply down to 0 > and then to negative values. This probably means that something is wrong > with the simulation. I want to assess the stability of helical conformation > in the presence of ligand. > Secondly, I want to know what is exactly the meaning of following line: > Option -ac produces the autocorrelation function(s). Be sure that the time > interval between data points is much shorter than the time scale of the > autocorrelation. > > Please someone elaborate. > With Regards > Suniba > > Sent from my iPhone > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
