AMBER Archive (2005)

Subject: Re: AMBER: E of amber calculations

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Thu Dec 15 2005 - 06:30:08 CST

> Anyway, my ultimate question is if there is a way that we can simply
> compare stability/ energy of current conformation of the molecule.
>
not without averaging over all of the water configurations or else
replacing them with a continuum model. These are energies of the
entire system, not just the DNA.

> with big thanks in advance,
>
> Young Jin

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