QMMM solvent effect

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saja.mahdizadeh

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Nov 11, 2020, 5:59:21 PM11/11/20
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Hi all,
I'm new in NWChem and wanted to study a reaction occurs between a receptor and ligand leading to a covalent bond formation. What is the best and efficient way to include the solvent effect? implicit techniques or explicit water molecules in MM region?
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