1 WARNING 1 [file grompp.mdp]:
2 The switching range should be 5% or less (currently 100.00% using a
3 switching range of 0.000000-0.990000) for accurate electrostatic
4 energies, energy conservation will be good regardless, since ewald_rtol =
7 WARNING 2 [file grompp.mdp]:
8 rvdw-switch is equal 0 even though you are using a switched Lennard-Jones
9 potential. This suggests it was not set in the mdp, which can lead to
10 large energy errors. In GROMACS, 0.05 to 0.1 nm is often a reasonable
13 WARNING 3 [file topol.top, line 112]:
14 The bond in molecule-type Protein between atoms 1 N and 2 H1 has an
15 estimated oscillational period of 1.0e-02 ps, which is less than 5 times
16 the time step of 2.0e-03 ps.
17 Maybe you forgot to change the constraints mdp option.
19 WARNING 4 [file grompp.mdp]:
20 Can not exclude the lattice Coulomb energy between energy groups
22 WARNING 5 [file grompp.mdp]:
23 The sum of the two largest charge group radii (0.168825) is larger than