AMBER Archive (2008)

Subject: Re: AMBER: Help with NMODE

From: David A. Case (case_at_scripps.edu)
Date: Fri May 02 2008 - 14:28:51 CDT

On Fri, May 02, 2008, Seth Lilavivat wrote:
>
> It is only the 1-4 EEL that is different, and I am using a dielectric of 1.0
> for both the sander and nmode. Thank you for the heads up, I will
> investigate any further differences... hopefully I can find something.

sounds like scee to me...remember that the default value is different in nmode
than in sander, so you have to set this explicitly.

...dac

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