Are you changing the last value on line 3 or the second to last value? Make sure you aren’t accidently changing the LJ cutoff instead of Coulombic. If that isn’t an issue, then you could try cranking up the kspace precision.
Stan
Are you changing the last value on line 3 or the second to last value? Make sure you aren’t accidently changing the LJ cutoff instead of Coulombic. If that isn’t an issue, then you could try cranking up the kspace precision.
Stan