[gmx-users] p-lincs use

Berk Hess gmx3 at hotmail.com
Mon Aug 24 13:29:32 CEST 2009


I don't understand what you want or why you want this.
If it is necessary (you have constraint in your molecule between different
charge groups and you run in parallel with domain decomposition)
Gromacs will automatically use P-LINCS.


> Date: Mon, 24 Aug 2009 19:24:32 +0800
> From: dcpwyh at sina.com
> To: gmx-users at gromacs.org
> Subject: [gmx-users] p-lincs use
>  Dear Gromacs developers,
> I am using the Gromacs 4.05 and I want use the P-LINCS
>  in my work.  But I donot know how to use it.
>  Could you please give me a detailed description of using it, as I cannot
>  find its use method in the Manual4.0
>  Thank you very much in advance,
> >
>  James, Wang      (Dr.)
> > Dalian University of Techonology
> > dcpwyh at 163.com
> > 2009-08-24
> >
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