AMBER Archive (2007)

Subject: Re: AMBER: fragment parametrization tutorial?

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Sat Sep 29 2007 - 16:48:30 CDT

how about
*Simulating a Solvated Protein that Contains Non-Standard Residues*
http://www.rosswalker.co.uk/tutorials/amber_workshop/Tutorial_four/

On 9/29/07, Miguel Ortiz-Lombardía <ibdeno_at_gmail.com> wrote:
>
> Dear amber users,
>
> I want to carry out binding free energy calculations for a system where
> one protein contains a non-standard residue, N(6)-acetyl-lysine. Since I
> haven't been able to locate parameters for such residue, I'd like to try and
> generate them myself. Being quite new to AMBER, I'd appreciate if someone
> could point me to a tutorial for this kind of procedure within AMBER.
>
> Thanking you in advance for your help,
>
>
> Miguel
> --
> correo-e: ibdeno_at_gmail.com
> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
> Je suis de la mauvaise herbe,
> Braves gens, braves gens,
> Je pousse en liberté
> Dans les jardins mal fréquentés!
>
> Georges Brassens
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu