AMBER Archive (2004)

Subject: Re: AMBER: solvent cap and eedmeth

From: David A. Case (case_at_scripps.edu)
Date: Fri May 07 2004 - 10:20:18 CDT

On Thu, May 06, 2004, Oliver Hucke wrote:
>
> is it correct that a solvent cap should be used together with
> "eedmeth=5", i.e. with distance dependent dielectric?

No. Generally, with explicit solvent you should use a constant dielectric.
>
> What exactly means the combinatin of e.g. "cut=12" with "eedmeth=5"?

These two parameters are not related to each other. You can consider their
values independently.

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