On Sat, Jul 22, 2017, Lizelle Lubbe wrote:
>
> I would like to know how to apply a distance restraint between the Cl
> and Arg during production MD to prevent this from happening. Would it be
> considered an appropriate way to solve the problem?
In Amber-ese, these are called "NMR" restraints, but they don't need to have
anything to do with NMR. Look at Section 23.1 ("Distance, angle and torsional
restraints") in the 2017 Amber Reference Manual.
....dac
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Received on Sun Jul 23 2017 - 05:00:03 PDT
