Hi Belquis,
I think you have the same problem mentioned on this list a short while
ago: you're trajectory (.trr) probably didn't contain velocities other
than the first frame. Check the .mdp options (nstvout).
Cheers,
Tsjerk
On 5/1/07, [EMAIL PROTECTED] <[EMAIL PROTECTED]> wrote:
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
then
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
Belquis
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--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
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