diff --git a/rfdiffusion/potentials/potentials.py b/rfdiffusion/potentials/potentials.py index b43a2a6b..3b1fe7d9 100644 --- a/rfdiffusion/potentials/potentials.py +++ b/rfdiffusion/potentials/potentials.py @@ -98,7 +98,7 @@ def compute(self, xyz): Ca_m2 = xyz[self.binderlen:,1] # [Lb,3] centroid_m1 = torch.mean(Ca_m1, dim=0, keepdim=True) # [1,3] - centroid_m2 = torch.mean(Ca_m1, dim=0, keepdim=True) # [1,3] + centroid_m2 = torch.mean(Ca_m2, dim=0, keepdim=True) # [1,3] # cdist needs a batch dimension - NRB #This calculates RoG for Monomer 1