AMBER Archive (2004)Subject: Re: AMBER: Run calculations for protein in Amber-distance dependent dielectric function
From: David A. Case (case_at_scripps.edu)
Date: Thu Feb 12 2004 - 10:41:16 CST
On Thu, Feb 12, 2004, Ma?gorzata Jaro?czyk wrote:
> I use Amber v. 7.0, and I found in manual that I should use commands:
> dielc=4, idiel=0,
Did you really see this in the manual? "idiel" is no longer a variable
in the sander of Amber 7. (I did a quick search in the sander section
of the Amber Manual, and could not find this....)
> but should I use also in the input line the command
> eedmeth=5
> to have distance dependent dielectric function?
Yes, you need to set eedmeth=5 to get a distance dependent dielectric.
...dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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