diff --git a/MindSPONGE/mindsponge/md/npt.py b/MindSPONGE/mindsponge/md/npt.py index 9953c02c4ed9af985cc18368dd36da441a59fcd5..ee6c8b68b408a7a463ff6ce8db2a0cf0ba51ac86 100644 --- a/MindSPONGE/mindsponge/md/npt.py +++ b/MindSPONGE/mindsponge/md/npt.py @@ -575,7 +575,7 @@ class NPT(nn.Cell): self.charge, scaler, nl_atom_numbers, nl_atom_serial, - self.lj_a, self.lj_b, self.beta) + self.lj_a, self.lj_b, self.d_beta) self.atom_virial += atom_virial else: lj_force = self.zero_main_force