[gmx-users] time in restarting job

Marta Wisniewska marta.d.wisniewska at gmail.com
Fri Jul 1 14:12:55 CEST 2016


Dear Users,

I am a bit confused. I'd like extend my simulation. For it I used command:
grompp -f prod.mdp -c prod.tpr -o prod_ext.tpr -t prod.cpt
mdrun -s prod_ext.tpr

But now I have 2 simulation (first md) 0-100ns and extended 0-50ns. How to
extend time? Because after trjcat .trr files I'd like to have 150ns
simulations, not 100ns and 50ns, what I have now.


Thank you in advance,
Marta


More information about the gromacs.org_gmx-users mailing list