Reply To: Missing common atom definitions in constraints

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June 16, 2011 at 7:42 pm #5774
Anonymous

    I can’t find any code whatsoever related to the centroid_with_HA patch, nor is there a way to run abinitio in fullatom. I’ve sent an email to the developer who wrote it to see if he has anything to add.

    I would try either A) tweak distances and use H for HA, or B) try doing the abinitio with just the H constraints and then add the HA constraints for relaxation later.