AMBER: dihedral parameters

From: Jardas sucuriba <>
Date: Mon, 11 Jun 2007 22:13:36 +0000

Hi all,
I used gaff to generate parameters for a ligand. However, for two dihedral angles, I want to use parameters already published. Those published parameters were calculated considering atom types derived from antechamber. It is provided the magnitude, phase and periodicity and now I want to add these parameters to the frcmod file. Is magnitude the same as the barrier height referred in the format for the dihedral parameters ( If so, do I have to divide the magnitude by 2?
Receba as últimas notícias do Brasil e do mundo direto no seu Messenger com Alertas MSN! É GRÁTIS!
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Jun 13 2007 - 06:07:25 PDT
Custom Search