[gmx-users] How to extend simulation by changing the mdp file?

ZHANG Cheng 272699575 at qq.com
Mon Apr 3 19:41:22 CEST 2017

Dear Gromacs Researchers,
My old.mdp only sets 10 ns of simulation. Now it has finished, and I want to extend it to 100 ns.

As shown on 

Should I use the following two lines of code for the files in the same folder?

grompp -f new.mdp -c old.tpr -o new.tpr -t old.cpt
gmx mdrun -deffnm new -cpi -append

Thank you.

Yours sincerely

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