Hi everyone,
I have a protein-2ATP complex. I ran the simulation using AMBER 14 for
near about 200 ns in steps of 10 ns each. Now all of a sudden it does not
start using the last rst file of last step. I had a look at the rst file it
is complete and nothing else seems suspicious in it. I am able to make a
valid pdb file ( without any stretching/banding of structure) using it. The
out file also does not have any error. It simply writes the inputs used
followed by results section. The section is empty of any results or error.
How can i diagnose this issue. For now i have started the simulation back
from 180 ns to see if it stalls again at 200 ns. But i have kept the old
rst and out files for debugging.
Regards
Abhilash
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Received on Fri Feb 23 2018 - 05:00:02 PST
