Hi I am running a simulation for 60 ns but due to power cutt it stopped at different time intervals and i continued the run with following command
1. tpbconv -s full.tpr -f full.trr -e full.edr -o full_part1.tpr -until 60000 2. nohup mpirun -np 2 mdrun_mpi -v -s full_part1.tpr -e full_part1.edr -c after_full.gro -o full_part1.trr -x full_part1.xtc -g full_part1.log -nice 19 >& full_part1.job& In a way i continued till 60 ns in 5 such breaks so now i have full.tpr full.xtc full_part1.tpr full_part1.xtc full_part2.tpr full_part2.xtc full_part3.tpr full_part3.xtc full_part4.tpr full_part4.xtc full_part5.tpr full_part5.xtc Finally i merged all the trajectories using command trjcat -f full.xtc full_part1.xtc full_part2.xtc full_part3.xtc full_part4.xtc full_part5.xtc -o total.xtc Now for the calculation of radius of gyration the command i have used g_gyrate -s fu _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
