diff --git a/pysages/colvars/contacts.py b/pysages/colvars/contacts.py index 1993010f..73c00003 100644 --- a/pysages/colvars/contacts.py +++ b/pysages/colvars/contacts.py @@ -9,7 +9,7 @@ """ from jax import numpy as np -from pysages.colvars.core import CollectiveVariable, multicomponent +from pysages.colvars.core import CollectiveVariable def remap_indices(contacts, sorted_unique_indices): @@ -25,7 +25,6 @@ def remap_indices(contacts, sorted_unique_indices): return remapped_contacts -@multicomponent class NativeContactFraction(CollectiveVariable): """ Calculate the native contact fraction Q. diff --git a/pysages/colvars/orientation.py b/pysages/colvars/orientation.py index 867cdce0..19c91748 100644 --- a/pysages/colvars/orientation.py +++ b/pysages/colvars/orientation.py @@ -126,7 +126,6 @@ def function(self): return lambda r: rmsd(r, self.Q, self.weights, self.optimal_rotation) -@multicomponent class ERMSD(CollectiveVariable): """ Use a reference to calculate the eRMSD of a set of RNA structures. @@ -378,7 +377,6 @@ def ermsd(rs, reference, cutoff, a, b): return ermsd_core(rs, reference, cutoff, a, b) -@multicomponent class ERMSDCG(CollectiveVariable): """ Use a reference to calculate the eRMSD of