diff --git a/src/se/raddo/raddose3D/CoefCalcCompute.java b/src/se/raddo/raddose3D/CoefCalcCompute.java index b1a50d45..2c4915e6 100644 --- a/src/se/raddo/raddose3D/CoefCalcCompute.java +++ b/src/se/raddo/raddose3D/CoefCalcCompute.java @@ -1196,8 +1196,7 @@ public void addCryoConcentrations(final List cryoSolutionAtoms, + waterMolecules * 2); Element oxygen = elementDB.getElement("O"); - // setCryoOccurrence(oxygen, getCryoOccurrence(oxygen) + waterMolecules); - setCryoOccurrence(oxygen, getSolventOccurrence(oxygen) + waterMolecules); + setCryoOccurrence(oxygen, getCryoOccurrence(oxygen) + waterMolecules); } cryoElements = new HashSet();