[gmx-users] extending the simulation

chemocev marker 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.


J. Vitali

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