Subject: protonation using MD

From: [email-masked] (sebastian fernandez)
Date: Fri, 1 Nov 1996 18:21:14 -0300

Hi:
     Does anybody know how can I study a protonation reaction using
Molecular Dynamic or Quantum Mechanic/Molecular Mechanic mixed model? I
would be very greatfull if there is anyone that know something about it.
Sebasti=E1n Fern=E1ndez Alberti
Centro de Estudios e Investigaciones
Univ. Nacional de Quilmes
Saenz Pe=F1a 180,
1876 Bernal, Prov. Buenos Aires
Argentina