Re: [AMBER] LJ interactions and cutoff

From: case <>
Date: Thu, 18 Nov 2010 07:45:54 -0500

On Thu, Nov 18, 2010, manoj singh wrote:
> What is the function (switch/shift) used for truncating LJ interaction in
> Amber, and how it works in conjunction with cutoff value given in input
> file.

LJ interactions beyond the cutoff are ignored, but an average correction is
included for these long-range interactions (see the vdwmeth parameter). There
is no shift or switch.


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Received on Thu Nov 18 2010 - 05:00:03 PST
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