Re: [gmx-users] Applying Dihedral Restraints to Polymer in GROMACS 5.1

Hi, It's a restraint - they move in the context of the force field and your extra potential. They're not frozen. Mark On Tue, May 23, 2017 at 7:49 PM Harry Ponce wrote: > Hello, > > I'm attempting to run an energy minimization on some high energy conformers > of a polymer

[gmx-users] Applying Dihedral Restraints to Polymer in GROMACS 5.1

Hello, I'm attempting to run an energy minimization on some high energy conformers of a polymer dimer while restraining two dihedral angles pertaining to the five backbone carbons of interest. The literature and forums online are sparse when it comes to non-biochemical systems, and it seems as