Nonbond interactions in Materials Studio and unit conversion
1. by default, while using cff91, 1-2, 1-3 pairs are excluded. But 1-4 pair is considered as nonbond pairs. This is valid for both vdW and electrostatic interactions.
2. sixth power mixing rule is used for vdW.
3. kq1q2/r is used for electrostatic interaction, where k=(1.386e-4/1e-10/4184)=331.26195 and q1, q2 are electric charge, r in Angstrom.
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