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Don't automatically apply compatibility mode.
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lohedges committed Oct 3, 2024
1 parent 4c9c19f commit bfc08a3
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1 change: 0 additions & 1 deletion src/somd2/runner/_runner.py
Original file line number Diff line number Diff line change
Expand Up @@ -94,7 +94,6 @@ def __init__(self, system, config):
from .._utils._somd1 import _apply_pert

self._system = _apply_pert(self._system, self._config.pert_file)
self._config.somd1_compatibility = True
except Exception as e:
raise IOError(f"Unable to apply perturbation to reference system: {e}")

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