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Merge pull request #60 from OpenBioSim/fix_52_58_main
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Backport fixes from PR #56 and #59 into main
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lohedges authored Apr 27, 2023
2 parents d76e9ec + 5744ee8 commit 609989e
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Showing 6 changed files with 20,030 additions and 116 deletions.
2 changes: 1 addition & 1 deletion python/BioSimSpace/Process/_amber.py
Original file line number Diff line number Diff line change
Expand Up @@ -895,7 +895,7 @@ def getElectrostaticEnergy(self, time_series=False, block="AUTO"):
energy : :class:`Energy <BioSimSpace.Types.Energy>`
The electrostatic energy.
"""
return self.getRecord("EELECT", time_series, _Units.Energy.kcal_per_mol, block)
return self.getRecord("EELEC", time_series, _Units.Energy.kcal_per_mol, block)

def getCurrentElectrostaticEnergy(self, time_series=False):
"""
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