[gmx-users] planarity restrain for ligand

[ansuman at physics.iisc.ernet.in]

Dear Gromacs users,

I am running an energy minimization on a protein ligand complex. The
ligand is a nucleotide and after the em the base loses its planarity. I
will be grateful if you let me know if a non-planar base is physically
possible or not. If not, what procedure i have to follow to retain the
planarity.

Thanks in advance,

Ansuman Biswas
Dept of Physics
IISc
India

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