Re: AMBER: Run calculations for protein in Amber-distance dependent dielectric function

From: David A. Case <case.scripps.edu>
Date: Thu, 12 Feb 2004 08:41:16 -0800

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.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
==================================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Feb 12 2004 - 16:53:00 PST
Custom Search