[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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