[gmx-users] Restart the Test Particle Insertion

Steven Neumann s.neumann08 at gmail.com
Mon May 14 09:48:57 CEST 2012

Dear Gmx Users,

I run Test Particle Insertion simulation in order to calculate chemical
potential of water. I addedd extra water molecule to the topology and to my
gro file. Then:

mdrun -s tpi.tpr -rerun md.xtc -deffnm tpi -tpi tpi.xvg -tpid tpid.xvg

The job crashed (quota exceeded). I want to restart it but the files I got
from this simulation are only:


There is no cpt file. Do you know how to restart it from the point it

Thank you,

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