[gmx-users] How to extend simulation?
272699575 at qq.com
Mon Apr 3 20:08:04 CEST 2017
(Following Justin's suggestion)
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?
If the "deffnm" is set correctly?
But in this case, will the new simulation still only have 10 ns?
convert-tpr -s previous.tpr -extend timetoextendby -o next.tpr
gmx mdrun -deffnm next -cpi previous.cpt
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