Dear Gromacs Users,
I have a Fatal error as follow. The error says -rdd option or -ddcheck. How can I properly use these options? Is the following command the proper use of these options? > gmx mdrun -s topol.tpr -c confout.gro -o traj.trr -x traj.xtc -rdd 1.5 -ddcheck Thank you. 1 of the 1612 bonded interactions could not be calculated because some atoms involved moved further apart than the multi-body cut-off distance (1.5 nm) or the two-body cut-off distance (1.5 nm), see option -rdd, for pairs and tabulated bonds also see option -ddcheck For more information and tips for troubleshooting, please check the GROMACS Best regards, Changwoon Jang, -- 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.
