Dear All First I ran a 5 ns MD (md-0ns-5ns), I get md-0ns-5ns.tpr and md-0ns-5ns.cpt,then I extend it for 1 ns by
tpbconv -s tpbconv -s md-0ns-5ns.tpr -extend 1000 -o md-5ns-to-6ns.tpr mdrun -deffnm md-5ns-to-6ns -cpi md-0ns-5n.cpt Then I further extend it for 2 ns by tpbconv -s md-5ns-to-6ns.tpr -extend 2000 -o md-6ns-to-8ns.tpr mdrun -deffnm md-6ns-to-8ns -cpi md-5ns-to-6ns.cpt Then I connect the md-0ns-5ns.trr, md-5ns-to-6ns.trr, md-6ns-to-8ns.trr by "trajcat -f md-0ns-5ns.trr, md-5ns-to-6ns.trr, md-6ns-to-8ns.trr -o md-0ns-8ns.trr -settime". Will you please explain to me on hoe to use "-settime"? Should I input "0,5000,6000"? or something else in order to connect the 3 trr files in time sequence from 0 ns to 8 ns? I am looking forward to getting your reply. Cheers, Acoot -- 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
