Re: [AMBER] how to keep the previous restart file when saving the current one

From: case <case.biomaps.rutgers.edu>
Date: Wed, 23 Jan 2013 19:36:08 -0500

On Thu, Jan 24, 2013, Thomas Evangelidis wrote:

> For some reason the queueing system on the
> supercomputer I am using cannot resume the simulation from the previous one
> if the previous has finished in less that 24 hours.

This sounds quite unlikely, although your wording is ambiguous. You *seem* to
be implying that somehow the queuing system knows how long the previous job
took, which I doubt. I think you need to state more clearly exactly what
behavior you are seeing.

The short more direct answer to your question is that there is no current way
to write two restarts every ntwr steps, but check into what happens when ntwr
< 0. That may serve what you need.

....dac


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Received on Wed Jan 23 2013 - 17:00:03 PST
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