Re: electrostatics truncation in AMBER

From: David A. Case <case_at_scripps.edu>
Date: Fri 19 Jul 2002 08:26:20 -0700

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 


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David A. Case                     |  e-mail:      case_at_scripps.edu
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Received on Fri Jul 19 2002 - 08:26:20 PDT
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