1 WARNING 1 [file grompp.mdp]:
2 The switching range should be 5% or less (currently 100.00% using a
3 switching range of 0.000000-1.000000) for accurate electrostatic
4 energies, energy conservation will be good regardless, since ewald_rtol =
7 WARNING 2 [file grompp.mdp]:
8 You are not using center of mass motion removal (mdp option comm-mode),
9 numerical rounding errors can lead to build up of kinetic energy of the