AMBER Archive (2006)

Subject: Re: AMBER: fail to execute addles

From: David A. Case (case_at_scripps.edu)
Date: Mon May 15 2006 - 11:46:28 CDT

On Mon, May 15, 2006, pang zhao wrote:

> | peek_ewald_inpcrd: Box info not found in inpcrd

Did you set the system up as a periodic system in LEaP? Does everything run
well before you try LES?

You can manually look at the bottom of the inpcrd file to see if the box
information is there. It probably is not, and you will have to narrow down
the reason for its absence.

...dac
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