Re: [AMBER] [error] The system has extended beyond the extent of the virtual box

From: Xiaocong Wang <wangxiaocong.outlook.com>
Date: Sun, 3 Mar 2019 10:17:15 +0000

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


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Mar 03 2019 - 02:30:02 PST
Custom Search