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Thread: Schrodinger software question-distance restraint for MD

  1. #1 Schrodinger software question-distance restraint for MD 
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    Join Date
    Mar 2011
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    1
    Hi,

    If I want to apply distance restraints (NMR-derived distance) between heme iron (CYP450) and the protons of ligand for MD, how to do? I used Impact module, but I did not find where I can apply to use distance restraint function. Q-site module looks have, but for MM. Thank you.


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