MolMeccano

Non-valent interactions semi-automatic parametrizer.


Service generates q (e), R* (Å) and Epsilon (kcal/mol) force fields parameters in AMBER/OPLS style.


Applicability area

  • Elements: H, C, N, O.
  • 4 to 10 non-hydrogen atoms.
  • Electrically neutral molecules.

  1. Service
  2. Heat of evaporation
  3. Density
  4. Self-diffusion
  5. About