tpduy

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    • Jul 14th, 2021 at 3:12 pm #16384

      tpduy
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      The CMAP parameters in AMBER-format input file is not read by GENESIS I guess.
      Maybe additional coding is needed in order to support the new AMBER19SB force field.

      ---------------
      Tran Phuoc Duy (チャン　フ　ズイ)
      Tokyo Institute of Technology 東京工業大学
      School of Life Science and Technology 生命理工学院

    • Jul 14th, 2021 at 1:50 pm #16383

      tpduy
      Participant

      [Affected file of the bug]

      genesis-2.0/src/lib/fileio_prmtop.fpp

      ---------------
      Tran Phuoc Duy (チャン　フ　ズイ)
      Tokyo Institute of Technology 東京工業大学
      School of Life Science and Technology 生命理工学院

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