I'm afraid not. MD parameters are more difficult to transfer to the traditional crystallographic restraint schemes than you might first think. You'll need to use one of the dedicated restraint generation tools like phenix.elbow or CCP4's AceDRG. Using eLBOW, for more complicated ligands I've generally gotten best results in the past by using its optional plugin to ORCA (
https://www.faccts.de/docs/orca/5.0/tutorials/).
-- Tritan
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