No. The calculation dies at the first frame, so no restart file has been written.
I don’t have periodic boundary information in the prmtop and trajectory files. I am not sure why.
Best regards,
Xiao
________________________________
From: Bill Ross <ross.cgl.ucsf.edu>
Sent: Sunday, March 3, 2019 5:20:06 PM
To: amber.ambermd.org
Subject: Re: [AMBER] [error] The system has extended beyond the extent of the virtual box
> Atom out of bounds. If a restart has been written,
> restarting should resolve the error
Does that advice apply?
Bill
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Received on Sun Mar 03 2019 - 02:30:02 PST
