Re: [AMBER] Periodic box error for restarting simulations with restraints

From: Sadegh Faramarzi Ganjabad <safaramarziganjabad.mix.wvu.edu>
Date: Sat, 8 Apr 2017 01:05:37 -0400

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 - 22:30:02 PDT