Re: [AMBER] ERROR: Could not read coords from {filename}

From: case <>
Date: Mon, 28 Dec 2009 08:00:34 -0500

On Sun, Dec 27, 2009, Paul Brandt wrote:
> I cannot restart a simulation using the final rst file.

Search for "****" in your restart files; this arises in long simulations
because the system has drifted to a location too large to put into the fixed
format of the restart file.

This usually works: start from the last good restart file, and set iwrap=1.
That should keep the system in the primary unit cell and avoid the problem.

Developers: can someone please look into why we turned off binary restart
files? Can we turn it back on again?...thx.


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Received on Mon Dec 28 2009 - 05:30:02 PST
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