Hi there,
1. While I am running nmr_torsion.inp , I am getting good results of the
structure without any violations and RMSD less then 1 for the backbone.
However, taking these data and using them in the sa.inp file leads to many
violation, why? and what can I do to improve it?
2. How can I add to the accept.inp file the constraint of energies of the
families of conformers besides the NOE and the dihedral angle?
Thank you very much ,
Rose
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