Re: [gmx-users] Length of a constrained bond

Hi, >From the topology Mark On Tue, Apr 17, 2018, 22:05 Eric Smoll wrote: > Hello Gromacs Users, > > When setting "constraints=h-bonds" in an mdp file, what sets the > constrained bond length? Is it the equilibrium bond length in the topology, > the bond length deduced

[gmx-users] Length of a constrained bond

Hello Gromacs Users, When setting "constraints=h-bonds" in an mdp file, what sets the constrained bond length? Is it the equilibrium bond length in the topology, the bond length deduced from the initial coordinates, or something else. Best, Eric -- Gromacs Users mailing list * Please search