1 WARNING 1 [file grompp.mdp]:
2 The switching range should be 5% or less (currently 29.29% using a
3 switching range of 0.700000-0.990000) for accurate electrostatic
4 energies, energy conservation will be good regardless, since ewald_rtol =
7 WARNING 2 [file topol.top, line 121]:
8 The bond in molecule-type Protein between atoms 1 N and 2 H1 has an
9 estimated oscillational period of 1.0e-02 ps, which is less than 5 times
10 the time step of 2.0e-03 ps.
11 Maybe you forgot to change the constraints mdp option.
13 WARNING 3 [file grompp.mdp]:
14 Can not exclude the lattice Coulomb energy between energy groups