Minimization does not have a time associated. Nstlim is not used for it,
nor is dt. Have you worked through the tutorials? They can be very helpful.
On Nov 30, 2014 8:38 AM, "pradeep pant" <pradeep.pant25.gmail.com> wrote:
> Hi all,
> Is the script below is fine for running a simple 100ps long minimization.
>
> &cntrl
> imin = 1,
> maxcyc = 500,
> dt = 0.02,
> nstlim = 5000,
> ncyc = 250,
> ntb = 0,
> igb = 0,
> cut = 12
> /
>
> Any help would be highly appreciated.
>
> Regards,
> Pradeep
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Received on Sun Nov 30 2014 - 06:00:05 PST
