diff --git a/benchmarks/benchmarks/analysis/rms.py b/benchmarks/benchmarks/analysis/rms.py index 3d34f386c5a..41517b78aa8 100644 --- a/benchmarks/benchmarks/analysis/rms.py +++ b/benchmarks/benchmarks/analysis/rms.py @@ -34,9 +34,9 @@ def setup(self, num_atoms, weights, center, superposition): self.u.trajectory[-1] self.B = self.u.atoms.positions.copy()[:num_atoms] except: - self.A = self.u.atoms.coordinates().copy()[:num_atoms] + self.A = self.u.atoms.positions().copy()[:num_atoms] self.u.trajectory[-1] - self.B = self.u.atoms.coordinates().copy()[:num_atoms] + self.B = self.u.atoms.positions().copy()[:num_atoms] def time_rmsd(self, num_atoms, weights, center, superposition): """Benchmark rmsd function using a setup similar to diff --git a/package/MDAnalysis/analysis/encore/covariance.py b/package/MDAnalysis/analysis/encore/covariance.py index 352d934f9d5..25568ba6bf3 100644 --- a/package/MDAnalysis/analysis/encore/covariance.py +++ b/package/MDAnalysis/analysis/encore/covariance.py @@ -215,7 +215,7 @@ def covariance_matrix(ensemble, # Select the same atoms in reference structure reference_atom_selection = reference.select_atoms( ensemble.get_atom_selection_string()) - reference_coordinates = reference_atom_selection.atoms.coordinates() + reference_coordinates = reference_atom_selection.atoms.positions() # Flatten reference coordinates reference_coordinates = reference_coordinates.flatten() diff --git a/package/MDAnalysis/units.py b/package/MDAnalysis/units.py index 9e77df6f486..d8f6123216d 100644 --- a/package/MDAnalysis/units.py +++ b/package/MDAnalysis/units.py @@ -238,7 +238,8 @@ timeUnit_factor = { 'ps': 1.0, 'picosecond': 1.0, # 1/1.0 'fs': 1e3, 'femtosecond': 1e3, # 1/1e-3, - 'ns': 1e-3, 'nanosecond': 1e-3, # 1/1e3, + 'ns': 1e-9, 'nanosecond': 1e-9, # 1/1e9, + 'ms': 1e-3, 'millisecond': 1e-3, # 1/1e3, 'second': 1e-12, 'sec': 1e-12, 's': 1e-12, # 1/1e12, 'AKMA': 1 / 4.888821e-2, }