Re: [gmx-users] Constraining two virtual sites

Hi again, unfortunately I would need the constraint for a large number of molecules, say ~1000 i.e. 2000 vsites representing a few atoms each. The constraint length should however be the same for each molecule. Assigning groups for each constraint group would not be possible due to the grou

[gmx-users] Constraining two virtual sites

Hi everybody, I have some trouble setting up topology for my, I admit, quite unusual system. I need to constrain the center of masses of two groups of atoms to a fixed 'bond' length. Since I have to do this for every molecule I cannot use the 'pull constraint' of the free energy code. Thus