[gmx-users] output force

[Justin A. Lemkul]

Mark Abraham wrote:
>  > >Петр Попов wrote:
>  > >>nstlist             =  10
>  >
>  > If this .mdp file is to be used for a rerun, please recall the
>  > advice I gave you earlier about the proper setting for nstlist.
>  >
>  > -Justin
> 
> Not actually necessary. Reruns do neighbour-searching every step so long 
> as nstlist != 0, per code in do_md() of src/kernel/md.c.
> 

Good point, thanks!  I had seen so many posts saying that nstlist = 1 was 
required for doing reruns that I failed to look for myself :)

-Justin

> Mark

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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