Hi,
I'll be most thankful if someone could tell me how to run a fragmented
trajectory using only the mdrun command. As of now I'm using :
while(SimuTime < SimTime)
{
...
system("tpbconv -s run.tpr -f run.trr -e run.edr -extend 1.0 -o
run.tpr");
system("mdrun -cpi run.cpt -cpo run.cpt -append -npme 0 -v -deffnm
run");
....
}
When I ran the above mdrun command alone, the run got stack
Thanks
Arik
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