modified main paths

Becksteinlab · Feb 22, 2024 · 0ffcc51 · 0ffcc51
1 parent 08fb56d
commit 0ffcc51
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/basicrta/gibbs.py b/basicrta/gibbs.py
@@ -63,6 +63,8 @@ def __init__(self, contacts, nproc=1, ncomp=15, niter=50000):
             self.contacts = pickle.load(f)
         self.cutoff = float(contacts.strip('.pkl').split('/')[-1].split('_')[-1])
         self.niter, self.nproc, self.ncomp = niter, nproc, ncomp
+        os.chdir(f'basicrta-{cutoff}')
+
 
 
     def run(self, run_resids=None):
@@ -384,5 +386,4 @@ def estimate_tau(self):
 
     contact_path = os.path.abspath(args.contacts)
     cutoff = args.contacts.split('/')[-1].strip('.pkl').split('_')[-1]
-    os.chdir(f'basicrta-{cutoff}')
     ParallelGibbs(contact_path).run(run_resids=args.resid)