Re: [AMBER] minimization issue (**** in rst file)

From: David Case <>
Date: Tue, 21 Feb 2017 08:15:23 -0500

On Mon, Feb 20, 2017, Bill Ross wrote:

> How many atoms in your system? Note the I5 format on the 2nd line of
> coordinate/restart:

Above is way out of date, as can happen with documentation. The formatted
restart files support up to a million atoms.

Having said that, I don't remember ever having seen the number of atoms
in the restart file be written badly. Try some simple, short, simulations,
and see if you can figure out what is different between the runs that work
and those that fail.


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Received on Tue Feb 21 2017 - 05:30:06 PST
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