There is no need to use -settime. trjcat automagically takes the time of the last frame from the previous file and starts the next segment of the output file with it.
On 2012-11-04 08:46:29PM -0800, Acoot Brett wrote: > 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 -- ================================================================== Peter C. Lai | University of Alabama-Birmingham Programmer/Analyst | KAUL 752A Genetics, Div. of Research | 705 South 20th Street p...@uab.edu | Birmingham AL 35294-4461 (205) 690-0808 | ================================================================== -- 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
