Re: [gmx-users] density and intramolecular interactions

Alexey Odinokov wrote: Hi everyone, I have a model for liquid benzene. In this model all bonds are treated as harmonic potentials. When I use larger constants for these potentials (to make molecules more planar), the average density of my benzene (from NPT ensemble) becomes lower. Does virial dep

[gmx-users] density and intramolecular interactions

Hi everyone, I have a model for liquid benzene. In this model all bonds are treated as harmonic potentials. When I use larger constants for these potentials (to make molecules more planar), the average density of my benzene (from NPT ensemble) becomes lower. Does virial depend on intramolecular int