Dear Amber users, I want to generate the structure of a product, starting
from my reactant.
Usually I pull the atom using SMD (infe=1) and then perform an
equilibration of the obtained structure.
Do you know if it is possible, after reaching the target distance, to
continue with the equilibration within the same job?
Regards.
David.
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Received on Fri Mar 02 2018 - 08:30:04 PST
