[AMBER] Continue running an incomplete MD with NMR restraints

From: Kat G <katwin86.gmail.com>
Date: Sun, 15 Jan 2017 00:43:04 -0600

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
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Received on Sat Jan 14 2017 - 23:00:02 PST
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