AMBER Archive (2003)

Subject: Re: distance-dependent dielectric function

From: Shixiang Yan (sy278_at_nyu.edu)
Date: Fri May 23 2003 - 11:39:04 CDT

hi, we've developed a distance-dependent dielectric function which can
reproduce the structural features of dna well... please see:

Wang et al., Biophys. J. 2002. 83:382-406

good luck, yan

On Fri, 23 May 2003, Robert G. Endres wrote:

>
> Dear All,
> does anyone know if one can use a sigmoidal distance-dependent dielectric
> function to simulate solvent and counterion electrostatic damping effects?
> If so can one specify slope and plateau values? Is that what the switch
> eedmeth=5 in sander does?
> Thanks for any help in advance.
>
> Best regards,
> Robert
>
>
> -------------------------------------------------------------------------
> Robert Endres http://www.csm.ornl.gov/~endres/
> Computer Science and Tel: (865) 574 4845
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> Oak Ridge National Laboratory E-mail: endresrg_at_ornl.gov
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>
>