Dear users
I am looking to simulate an organic molecule with 208 atoms and need to
apply restraints on two dihedral angles to a value 180 . I have explored
some online resources but still lack clarity on how to specify the angles,
atoms, and force constants. Could someone briefly guide me on the script
and submission process? Forgive me as I am new in this field.
Many thanks!!
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Received on Mon Feb 17 2025 - 22:30:02 PST
