[gmx-users] some confusion about cut-off radius in parameters

[Mark Abraham]

Hi,

These refer to the twin-range cutoff scheme, which was removed several
years ago. Please do everybody a favour and don't start new work from such
ancient versions. The code and its documentation have been vastly improved
since then.

Mark

On Wed, Jun 13, 2018 at 10:35 AM 张明敏 <zhangmm at mail.iggcas.ac.cn> wrote:

>
> Dear all;
>
> When I set the simulation parameters, I found that there are many settings
> about the cut-off radius in mdp file. After looking at manual in detail, I
> still have several questions:
>
>
>
>
>
> 1，In the manual 4.5.5(p18 3.4.2, pair lists generation), there are
> concepts of "rshort" and "rlong". Are they the same meaning of "rlist" and
> "rlistlong"?
>
>
>
>
> 2, what is the relationship between "rcoulomb"("rvdw")  and "rlistlong"  ?
>
>
> --
>
>
>  Zhang Mingmin
>  Chao Yang, Beijing , CHINA
> University of China Academic of Science (UCAS)
> MAIL: zhamgmingmin15 at mails.ucas.ac.cn
>
> --
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