AMBER Archive (2003)

Subject: morse potential

From: hagop demirdjian (hagop.demirdjian_at_ens.fr)
Date: Mon Jan 20 2003 - 10:22:03 CST

Hello amber users,

I would like to know if it is possible to replace the harmonic potential
used in the force field with a Morse potential ?

I am studying HF in H2O and computing the spectra of HF stretching, but
I would like to use an anharmonic potential.

Thank you,
Hagop.