improper migration is exceed maximum

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    • Jun 22nd, 2020 at 9:44 pm #14517

      adam
      Participant

      Hi,

      I have applied spdyn to a complex of a protein with a druglike compound, which has several benzene-like rings.

      Spdyn often stopped with this message: Debug: update_incoming_enefunc_impr> improper migration is exceed maximum.

      I think a way to avoid this problem is increasing NImprBox8 in sp_domain.fpp.

      Please let me know whether or not this workaround has a potential to give us unexpected results.

      Of course another workaround is welcome!

       

      Thanks!

    • Jun 22nd, 2020 at 10:49 pm #14518

      jwjung
      Moderator

      Yes, you can increase NImprBox8 in sp_domain.fpp. It would not make any unexpected results. If you increase the value in sp_domain.fpp, please make clean and make again.

    • Jun 22nd, 2020 at 11:06 pm #14519

      adam
      Participant

      Thank you very much for the quick response!

       

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