AMBER Archive (2005)

Subject: Re: AMBER: IDIEL in sander

From: David A. Case (case_at_scripps.edu)
Date: Sat Mar 12 2005 - 16:10:09 CST

On Fri, Mar 11, 2005, sebnem wrote:

> I have a problem with parameter "idiel" in sander in AMBER7. I am using
> nmode then taking that structure to sander, but i couldn't find something
> corresponding to "idiel" in sander. What is the default for this in
> sander? Is it r**2 dependent or constant dielectric?

See the "eedmeth" variable in sander: this corresponds to the "idiel"
variable in nmode and in older versions of sander itself.

...good luck...dac

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