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SCOTTxRT

impropermio

Aug 24th, 2019
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  1. IMPROPER
  2. !
  3. !V(improper) = Kpsi(psi - psi0)**2
  4. !
  5. !Kpsi: kcal/mole/rad**2
  6. !psi0: degrees
  7. !note that the second column of numbers (0) is ignored
  8. !
  9. !atom types Kpsi psi0
  10. !
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