Hiya,
You can try reimaging your restart file (with ccptraj) before restarting.
It may be that molecules involved in the restraint are in different
'images', which can lead to the behaviour you see upon restarting.
Marc
On 31 Mar 2017 06:23, "Sadegh Faramarzi Ganjabad" <
safaramarziganjabad.mix.wvu.edu> wrote:
> Hi Chris,
>
> I turned off restraints and it works! it's weird. Do you know how I can
> restart my simulations without having to turn off restraints?
>
> Thanks,
> Sadegh
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Received on Fri Mar 31 2017 - 00:00:02 PDT
