4.4. Available MT

4.4.1. Solvants

Water

Name	Variation	Variation
TIP4P/2005	Mean position on the negative charge	Mean position on the Oxygen atom
SPC/E	Classic SPC/E

• 4.4.1.1. Water: TIP4P2005
• 4.4.1.2. Water: TIP4P2005 - O
• 4.4.1.3. Water: SPC/E

Simple alcohol

Name	OPLSAA	Other MD description
Methanol	All-Atom
Ethanol	All-Atom

• 4.4.1.4. Methanol: OPLS/All Atoms
• 4.4.1.5. Ethanol: OPLS/All Atoms

4.4.2. Ions

Atoms

Name	Full charge	Other MD description
Na	Full-charge
Cl	Full-charge

• 4.4.2.1. Na+: Full charge
• 4.4.2.2. Cl-: Full charge