[gmx-users] extending the simulation
jirivitali at gmail.com
Wed Feb 1 12:43:33 CET 2017
I have finished the 1000 ps simulation and i check the system is still not
stabilized and I want to run 1000 ps simulation on the previous system.
is it oaky to used it like this
$ gmx convert-tpr -s md_0_1.tpr -extend *1000* -o md_0_1_b.tpr
$ gmx mdrun -s md_0_1_b.tpr -cpi md_0_1.cpt
but the problem is now it will run 2ns rather 1 ns more, how to run
extra 1ns on the previous 1ns completed simulation.
More information about the gromacs.org_gmx-users