[gmx-users] confused about rcoulomb<=rlist
gmx3 at hotmail.com
Thu Jul 20 14:48:22 CEST 2006
>From: David van der Spoel <spoel at xray.bmc.uu.se>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: Discussion list for GROMACS users <gmx-users at 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.
But it requires minor changes to a few files only.
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