AMBER Archive (2002)

Subject: Re: electrostatics truncation in AMBER

From: David A. Case (case_at_scripps.edu)
Date: Fri Jul 19 2002 - 10:26:20 CDT

On Fri, Jul 19, 2002, Therese Malliavin wrote:

> I saw in the literature several
> truncation methods (switching function or force-switching function)
> which can help to alleviate the effect of long-range electrostatics
> truncation, if PME is not used.

Hi Thérèse:

You are correct: the methods you refer to above are not implemented in Amber.

..regards....dave 

-- 

==================================================================
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
==================================================================