Re: [gmx-users] The molecular structure

Chih-Ying Lin wrote: Hi the molecular structure : bond length, bond angle, dihedral angle the bond length, bond angle are easily determined.. but the dihedral angle are hard to control... Are you looking to control (i.e., restrain/constrain) these parameters, or measure them? with

[gmx-users] The molecular structure

Hi the molecular structure : bond length, bond angle, dihedral angle the bond length, bond angle are easily determined.. but the dihedral angle are hard to control... with one set of the force field parameter, I could not get the exact structure of the molecule (not all of the dihedral ang