divide not modulo

Author: IAlibay

openfe/setup/methods/openmm/equil_rbfe_methods.py

@@ -877,13 +877,13 @@ def get_center_offset(omm_system):
             if verbose:
                 logger.info("equilibrating systems")
 
-            sampler.equilibrate(int(equil_steps.m % mc_steps))  # type: ignore
+            sampler.equilibrate(int(equil_steps.m / mc_steps))  # type: ignore
 
             # production
             if verbose:
                 logger.info("running production phase")
 
-            sampler.extend(int(equil_steps.m % mc_steps))  # type: ignore
+            sampler.extend(int(equil_steps.m / mc_steps))  # type: ignore
 
             return True
         else: