Re: [gmx-users] mixed solvent energy minimization

Owen, Michael wrote: Hello Gromacs Users; I am trying to equilibrate a box that contains TFE and TIP4P water molecules using the OPLSAA/L force field. The system converged several times using the steepest descent method during energy minimizations, but each time I attempted a full simulation I

[gmx-users] mixed solvent energy minimization

Title: mixed solvent energy minimization Hello Gromacs Users; I am trying to equilibrate a box that contains TFE and TIP4P water molecules using the OPLSAA/L force field. The system converged several times using the steepest descent method during energy minimizations, but each time I attempte