AMBER Archive (2006)

Subject: Re: AMBER:

From: David A. Case (case_at_scripps.edu)
Date: Wed Apr 05 2006 - 09:46:18 CDT

On Wed, Apr 05, 2006, Claire Zerafa wrote:
>
> I ran production dynamics on 5 parallel systems at the following time intervals:
>
> 20-220
> 220-420
> 420-620
> 620-820
> 820-1020
> 1020-1220
> 1220-1420
> 1420-1620
> 1620-1820

This describes what you intended to do, but doesn't say enough about
what you actually *did*. The ending time for each rst file is at the
top of that file, so you can just look at. (This would ordinarily correspond
to the starting time for the next step of the simulation.)

> I guess something is wrong with the .rst file. But this would be
> difficult to see I guess.

These are just ordinary text files, so you can examine them. Look at he
ones what "work" and the ones that don't work, and see if you can figure
out what the difference is.

...dac

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