[gmx-users] Extending MD simulation

Shan Jayasinghe shanjayasinghe2011 at gmail.com
Mon Apr 1 12:00:48 CEST 2019

Dear Gromacs Users,

Initially, I did my simulation for 50 ns using Gromacs 2016.3 version and
now I want to extend my simulation for another 50 ns. At the same time I
want to change output control parameters (nstxout and nstxtcout) in the mdp
file. I would like to know two things.

1) What parameters do I need to change in the mdp file to continue the
simulation from 50 ns?
2) How do I use grompp and mdrun commands to continue the MD simulation?

Can anyone help me?

Thank you.

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