Chris,
Yes I used the same 'refc' file for both original and restart simulation.
Actually, there is no option -ref in my submission script. When I was
running the original simulation, it was complaining about not finding
'refc' file for restraints. Then I copied my input coordinate as 'refc' and
put it on the same directory and ran simulations. However, when I try to
visualize 'refc' on VMD it shows an abnormal structure (I don't know why)
but the atom numbers and coordinates are there.
I removed iwrap=1 and now the restart output structure looks normal.
Thanks,
Sadegh
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Received on Mon Apr 03 2017 - 00:00:02 PDT
