I have run a simulation for 300 ns. Now i want to extend it upto 1500ns. if i run the input.production.conf file will it run again from the beginning or shall take up after 300ns? if it would take from the beginning, is there any way by which i can run the simulation from 300 ns to 1500 ns instead of starting from the beginning?
Found the answer in the log file. The simulation begins where the md.dcd file ends last.
In restarting MD simulation runs you should make sure you are using 'restart file', which contains the information of both atomic coordinates and velocities. Note that 'md.dcd' file usually contains only the coordinates and not the velocities. If you haven't done so, I would recommend to create one by frequently saving the coordinates and velocities for each atom in an output file, hence, even when the MD simulations crash you will have the restart file for restarting the simulations. For this you will have to modify your input configuration script, for both printing regularly the restart file and whenever you want to restart the simulations to refer to this 'restart file' and not to other files which may contain just information about the coordinates.
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