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Merge branch 'langevin_integrator' of github.com:cbc-univie/transform…
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…ato into langevin_integrator
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loeflerm committed Aug 22, 2024
2 parents 1187ff2 + 15deb87 commit 67aa659
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1 change: 0 additions & 1 deletion transformato/state.py
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Expand Up @@ -500,7 +500,6 @@ def _copy_omm_files(self, intermediate_state_file_path: str):
)
self._write_workload_preamble(omm_init_energies_submit_script_target)


elif self.configuration["simulation"]["free-energy-type"] == "rbfe":
# parse omm simulation paramter
for env in self.system.envs:
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