AMBER Archive (2002)

Subject: Re: intdiel & extdiel

From: Holger Gohlke (gohlke_at_scripps.edu)
Date: Thu Nov 21 2002 - 09:55:15 CST

Hi,

> i want to use distant dependent dielectric constant.,
> which option i can you?
> can anybody tell me about this?
> thanks in advance.....
> regards
> fredrick.

In amber7, you need to set NTB=0 in the &cntrl namelist and EEDMETH=5 in
the &ewald namelist. Then DIELC=... determines the value of the
distance-dependent dielectric constant.

Best regards

Holger 

-- 
+++++++++++++++++++++++++++++++++++++++++++++
Dr. Holger Gohlke
Dept. of Molecular Biology, TPC15
The Scripps Research Institute
10550 N. Torrey Pines Rd.
La Jolla CA 92037  USA
phone: +1-858-784-9788
fax:   +1-858-784-8896
email: gohlke_at_scripps.edu
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