AMBER Archive (2004)

Subject: Re: AMBER: thermodynamic integration of ring opening

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue May 18 2004 - 14:08:13 CDT

> The method would be another example
> of the thermodynamic idea of "it doesn't matter what the path
> between them is, only the properties of the two end states" then,
> right?

Yes. The critical thing is whether the sampling along the path
is adequate.

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