Hi!
I am running ACF calculations in gmx hbond tool in 5.0.7 version. When running: gmx hbond -s mol.tpr -f mol.xtc -tu ns -b 0 -e 10 -ac acf_0-10ns.xvg and gmx hbond -s mol.tpr -f mol.xtc -b 0 -e 10000 -ac acf_0-10ns.xvg The results given for the ACF are completely different (example: CHI^2 = 0.000347 and CHI^2 = 22.9131, respectively). It seems -tu flag is not working properly here. Still, all graphs generated make sense (going until 5ns, the half of trajectory time analyzed). Does anyone already encountered this error? Thanks! -- Marcelo -- 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.