diff --git a/tools/amber2lmp/amber2lammps.py b/tools/amber2lmp/amber2lammps.py index d6d5d3700c..c47a17cfe6 100644 --- a/tools/amber2lmp/amber2lammps.py +++ b/tools/amber2lmp/amber2lammps.py @@ -281,7 +281,7 @@ class Amber: l.Dihedral_Coeffs[i][1] = 1 else: l.Dihedral_Coeffs[i][1] = -1 - l.Dihedral_Coeffs[i][2] = self.PN[i] + l.Dihedral_Coeffs[i][2] = int(self.PN[i]) l.Atoms = [] for i in range(self.NATOM):