Re: [gmx-users] Is it possible to use both Gromacs pre-defined potential as well as tabulated potential simultaneously ?

unsubscribe On Tue, Mar 13, 2018 at 1:53 PM, Mark Abraham wrote: > Hi, > > I already suggested where to go and find the answer, but you looked > somewhere else... The PDF you linked is kindly contributed by another user, > but not official. Anyway, apparently my memory

[gmx-users] grompp/COM Pulling- Is number of pull groups an issue, an issue with the free energy of the molecule, or is there a limit to the size of the whole structure?

Hello! I'm trying to grompp my files that has around 140 pull groups, but whenever I try to pull more than 128 groups together, the grompp command stops between *Largest charge group radii for Van der Waals: 0.149, 0.149 nm* *Largest charge group radii for Coulomb: 0.165, 0.164 nm* and