The input you provided is for minimization. The random seed isn't used, and
you should not be getting temperature in your output.
On Tue, Sep 17, 2019, 9:57 AM Jinfeng Huang <wwsshhjjff00.163.com> wrote:
> Dear amber users,
>
>
> Sorry for that I can't reply to my previous email as I subscribe to the
> maillist in the wrong way. I recently tried to use Amber18 and 16
> pmemd.cuda to run triplicated jobs, but I got exactly the same trajectory
> for all three trials(final coordinate file and output (energy, temperature,
> etc.) files are same ) with a different random seed for Amber18 and also
> get several same trajectories by using Amber16. I'm not sure if there any
> problems with the random seed or the installation on the cluster is wrong.
> ==============minimization input file================
> &cntrl
> imin=1, maxcyc=2000, ncyc=250, drms=0.05,
> ntb=1, ntf=1, ntc=1,
> cut=12.0,
> ntr=1,
> restraintmask="(!:WAT)&(!.H=)&(!.Na+)|(!.Cl-)",
> restraint_wt=5.0,
> ntpr=50
> ioutfm=1,
> /
> ================================================
>
>
> Any reply will be very grateful. Thank you!
>
>
> With regards,
> Jinfeng
>
>
>
>
>
>
>
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Received on Tue Sep 17 2019 - 09:30:02 PDT
