[gmx-users] Restarting a crashed MD run

bmmothan at ucalgary.ca bmmothan at ucalgary.ca
Tue May 1 17:49:40 CEST 2007

Hello all,

I restarted a crashed run due to power outage using these command lines:

tpbconv -s md0-30ns.tpr -f md0-30ns.trr -e  md0-30ns.edr -o md0-30ns-C.tpr


mdrun -s md0-30ns-C.tpr -e md0-30ns-C.edr -o  md0-30ns-C.trr -x 
md0-30ns-C.xtc -c after_md0-30ns-C.gro -g  md0-30ns-C.log

The run was for 30 ns..However the new tpr started from time zero and it
didnt do a continuation run from the crashed md. it is doing the whole 30
ns again, instead of completing what was left from the first run. It seems
I am missing something? would anyone plz direct me on how to do this?

Thank you


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