[gmx-users] rlist cutoff question

[Viswanadham Sridhara]

Hi Tejender,
Any cut-off less than 61.54/2 A ~ 30.77 A is ok.

On 11/18/05, 4tejender <4tejender at indiatimes.com> wrote:
>
> dear users
> what is optimal value of rlist and cut-off for columb and vdw i should
> use. If i have a simulation box of size 61.54,62.50,145.66 as suggested in
> manual it should be half of the smallest vector but it will come out to
> 0.31.Isn't it too large
> for diffusion studies which is more preffered either Stocastic dyanamics
> or brownian dyanamics.
>
> thanks teje
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--
Viswanadham Sridhara,
Graduate Research Assistant,
Old Dominion University, "VIRGINIA".
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