AMBER Archive (2000)

Subject: Cl and NO2

From: Oscar Rey (orey_at_iqs.url.es)
Date: Tue Oct 24 2000 - 09:25:28 CDT

Dear amber users

We're studying organic systems like porphyrins and porphycenes. We need some
bond, angle and dihedral parameters for some substituents like -Cl and -NO2
bonded to an aromatic system. We'll appreciate your help if some of you have
some references or have developed those parameters.

Thanks in advance
_____________________________________________________________
Oscar Rey Puiggròs
Grup de Química Computacional, Grup d'Enginyeria Molecular (GEM)
Institut Químic de Sarrià (URL)
e-mail: orey_at_iqs.edu
telf: 932 038 900 Ext.:2361
Via Augusta 390, 08017
Barcelona Catalunya
_____________________________________________________________