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Great, thanks for this!
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This PR updates the existing
ring_break_morphandreverse_ring_break_morphschedules to use Direct Morse Replacement (DMR) approach rather than the original indirect approach. Key modifications are the introduction of a "hard" and "soft" Morse bond potential restraints which are used to carry out the bond-annihilation, everything else remains unchanged.ring_break_morphschedule:reverse_ring_break_morphschedule:I have done limited single replicate testing that shows the reverse schedule gives the exact opposite answer for the CHK1 C20 --> C17 vacuum leg (when running C17 --> C20).