[gmx-users] Re: problems with reaction field (Anton Feenstra)

Alan Wilter Sousa da Silva alan at lac.inpe.br
Wed Sep 24 13:40:01 CEST 2003


On Wed, 24 Sep 2003 gmx-users-request at gromacs.org wrote:

>    3. Re: problems with reaction field (Anton Feenstra)

Date: Mon, 22 Sep 2003 19:05:43 +0200
From: Anton Feenstra <feenstra at chem.vu.nl>
To:  gmx-users at gromacs.org
Subject: Re: [gmx-users] problems with reaction field
Reply-To: gmx-users at gromacs.org


>Also, I noticed you use separate t-coupling for solvent, ions,
>protein and ligand, which I could guess may give artefacts in
>combination with cut-offs?

Hi, now I got confused.  Separated t-coupling is not the better choice in 
any case?  Which sort of artefacts?

I hope someone may clarify this subject here.

Cheers,

--
Groetjes,

Anton

-- 
--------------------------
Alan Wilter Sousa da Silva
--------------------------
B.Sc. - Dep. Física - UFPA
M.Sc. - Dep. Física - PUC/RJ
D.Sc. - IBCCF/UFRJ
Bolsista Pesquisador LAC-INPE
São José dos Campos (SP), Brasil
www.lac.inpe.br/~alan



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