Search of the conformations of Val-dipeptide and Val-tripeptide by ab initio method and ABEEMσπ polarizable force field

- ABEEMσπ PFF can search out all the conformations of Val-polypeptides as B3LYP does.
- The total energies of Val-polypeptides from ABEEMσπ PFF are close to those of MP2.
- The results of ABEEMσπ PFF are much better than those of the usual FF.
- Polarization effect is important in conformational analysis.