Without context, I'd try cutting the weight to see what happens, e.g. to
1. Just run 100 steps.
Bill
On 4/7/17 10:05 PM, Sadegh Faramarzi Ganjabad wrote:
> Daniel,
>
> I put nptr=1 and restraint_wt = 10. I get '****' energies after it runs for
> few timesteps. Then after an hour I get that error about periodic box.
>
> Thanks,
> Sadegh
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Received on Fri Apr 07 2017 - 22:30:03 PDT
