Re: [gmx-users] User tabulated potential and VdW Modifier

2019-03-14 Thread Kiesel, Matthias
Hello everybody, I sent a message a week back with the same title and I hope this gets put into the right thread now (did not know how to respond directly). I actually did some more testing and I think I found out how everything works and I'm going to leave this here in case someone else ever

[gmx-users] User tabulated potential and VdW Modifier

2019-03-07 Thread Kiesel, Matthias
Dear everyone, My question concerns the effect of the mdp option "vdw-modifier" when vdwtype is set to user. I have a tabulated 8 - 6 Mie potential and I'm simulating a coarse grained water, NaCl system, which all interact with the same potential form but different dispersion coefficients. I