Dear All, In my simulations ,I have a Peptide in aqueous solution with a cosolvent.
For more number of hydrogen bonds like peptide water, water-water, there are no warnings But for Peptide cosolvent, there are 315 hydrogen bonds and it does the acf as 315/315... It shows warning: correlations not long enough My original time step was 0.002 and I changed it to 0.0005 and even lowered the output frequency of coordinates Doing so gave me a 80GB output file! Still the problem persists.. The lifetime that is output on the screen is 45 ps. Since it writes that the lower half of the correlation function was fitted and then this is calculated, can I quote this lifetime? Is it accurate? Please help Yours sincerely Apramita -- 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.