Running a simulation of a protein in solution under windows using VMD and NAMD

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  • Опубліковано 25 січ 2025

КОМЕНТАРІ • 3

  • @aris1162fr
    @aris1162fr Місяць тому

    Please I would like to know if you have already worked with namd2 for protein-ligand and thank you.

  • @MdHasibulHossain-qx5ng
    @MdHasibulHossain-qx5ng 2 роки тому +1

    I'm facing
    FATAL ERROR: BAD vdW PAIR FORMAT IN CHARMM PARAMETER FILE
    LINE=*set para*
    Any solution? and can you please share the parameter files?

    • @jeffcomer3607
      @jeffcomer3607  Місяць тому +1

      @@MdHasibulHossain-qx5ng This is an unfortunate incompatibility between the official CHARMM parameter files and NAMD. NAMD should really just ignore this stuff. You can comment out (using “!”) the lines in the parameter file causing these errors.