Hi all,
I am running md in sander with nmr restraints (bond, angle, torsion and
rdc). The force constant is set up to increase over time like &wt
TYPE='REST', istep1=0, istep2=10000000, value1=0.3, value2=1.0, /
Due to the expired runtime limit, the simulation stopped in the middle. I
should have run many short runs rather than a long one. Anyway, please help
me to continue with the remaining of this simulation.
Thanks so much
Kat
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Received on Sat Jan 14 2017 - 23:00:02 PST
