[gmx-users] output force

[Mark Abraham]

> >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.

Mark

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101011/b4c1f8af/attachment.html>