From: David van der Spoel <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Subject: Re: [gmx-users] confused about rcoulomb<=rlist
Date: Thu, 20 Jul 2006 14:18:19 +0200
Berk Hess wrote:
So I will implement this for Gromacs 4.0.
The only, technical, detail is if one would want to determine
beta with rcoulomb or with rcoulomb_switch,
as the real space part will start deviating from rcoulomb_switch.
But I would prefer rcoulomb for consistency reasons.
I have committed the new PME-Switch electrostatics option.
4.0 only.
But it requires minor changes to a few files only.
Berk.
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