Reply To: Maximum Number of Constraints

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June 24, 2011 at 7:09 am #5809
Anonymous

    Thanks for looking into this. It finally solved also the issue I mentioned in my “degenerate protons” thread (see first post for link). Abinitio:relax seems to handle constraints slightly different since it printed an error (core.io.constraints: ERROR: reading of Dihedral failed.), but still proceeded. That got me curious.