Hello Leonidas--
> Following up to this, I would like to add one side question. Would it
> be possible to keep one part of the (reference) structure unchanged
> and the rest be modified like previously to match the RDCs?
>
Sure. You can specify a region as moving as a rigid body by specifying
one or more
dyn.group("resid X:Y")
and
minc.group("resid X:Y")
before
protocol.torsionTopology(dyn)
and
protocol.cartesianTopology(minc)
respectively, where X and Y are the beginning and end resids of the
region to move rigidly.
best regards--
Charles
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