From f001bddbb95be41ce782cf4924ef0e730606c837 Mon Sep 17 00:00:00 2001 From: Adrian Lange Date: Thu, 20 Jun 2024 17:24:05 -0500 Subject: [PATCH] bug fix: centroid_m2 --- rfdiffusion/potentials/potentials.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/rfdiffusion/potentials/potentials.py b/rfdiffusion/potentials/potentials.py index b43a2a6..3b1fe7d 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