Hi again, I have done mdrun for 5000000 steps (10 ns) and got the results. Then I tried to extend the simulation for another 5000000 steps ( I mean the next 10 ns = 10 to 20 ns ) using this command: # tpbconv -s md.tpr -o md.tpr -extend 10000 # mpirun -np 32 mdrun_mpi -s md.tpr -o md.trr -c md.gro -e md.edr -g md.log -cpi md.cpt -v
The simulation started from step 5000000. I got the results as I expected : whole 20ns simulation. Then I tried to extend the simulation for another 10ns ( I mean 20ns to 30ns ). So used the last commands again, but the simulation starts from the step 500000. However, I expect it to start from the step 10000000! Isn't it possible to extend a simulation for the second, third,... time? What's the problem? Would you please help me? Sincerely, Shima -- 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
