AMBER Archive (2008)

Subject: AMBER: CG and HC atoms partial charges in AMBER

From: Stephane Abel (Stephane.Abel_at_cea.fr)
Date: Thu Nov 20 2008 - 09:40:17 CST

Hi AMBER users

 I would like to simulate a dodecan chain with the AMBER force field
but *without* the AMBER code (i use an other MD package). So I construct
manually the topology and the parameter for this molecule. For
subsequent simulations, I will use GLYCAM_06. So I have a little
question about the partial charge of the carbon (CG) and hydrogen atoms
(HC). How to obtain them ?

Thank you for your help

Stefane

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