AMBER Archive (2009)

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

From: case (case_at_biomaps.rutgers.edu)
Date: Mon Dec 28 2009 - 07:00:34 CST

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.

...dac

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