[gmx-users] Extending simulation

thomas knitter silkweaver35 at gmail.com
Tue Oct 13 18:54:44 CEST 2015


Hi there,,

I also tried to make the simulation picked from it left off. I typed the
commands below:

gmx convert-tpr -s em.tpr -extend 100 -o tpxout.tpr

gmx mdrun -s tpxout.tpr -cpi em.cpt

After a short while, it says job is terminated. So what do you suggest I do.

Thank you


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