Re: AMBER: protein ligand complex

From: Carlos Simmerling <>
Date: Wed, 01 Feb 2006 12:53:06 -0500

I would suggest working through the tutorials on the Amber
web site. Particularly useful may be the "protein with a nonstandard
residue" and "simulating a pharmaceutical compound". Then read
papers that use Amber to do the kind of thing that you want and
check their methods section carefully.

snoze pa wrote:

> Hi, I am a new user in amber community. I want to simulate my protein
> which has a ligand bound to it. This is a small
> organic molecule bound to the active site in the protein. I want to
> know how can i start my setup using this ligand and protein.
> Any help from scratch will be higly appreciated.
> thanks in advance.
> snoze

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Thu Feb 02 2006 - 06:10:06 PST
Custom Search