AMBER Archive (2006)

Subject: Re: AMBER: generalized born model for organic solvent

From: David A. Case (
Date: Wed Oct 11 2006 - 18:53:49 CDT

On Wed, Oct 11, 2006, Eric Hu wrote:

> Based on your experience, can you recommend a set of parameters to use
> in that case [for acetonitrile]?

I don't have any experience, so you are on your own. The dielectric constant
is easily obtained, and I'd start from there. If you are not willing to
live with some uncertainly, don't continue down this path....


The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to