Reply To: To apply distance constraint to MULTIPLE residue pairs, what’s the format?

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#4102
nobuyasu
Participant

    hi,
    But the following contraint is just a docking site constraints.
    2
    -1000
    1 A
    2 A
    3 A
    4 A
    1 B
    2 B
    3 B
    0 B
    -100
    8 A
    0 A

    filter -10

    not distance contraint

    /// distance constraint file format: (filter only)
    ///
    /// 10.0 distance (Angstroms)
    /// 23 H residue 1
    /// 24 H residue 2