Re: amber-developers: save secondary restart

From: Thomas E. Cheatham, III <>
Date: Mon, 17 May 2004 08:42:08 -0700

> This is probably not documented in the manual. I found in mdwrit.f
> there's a chance to save a secondary restrt file when ntwr is negative.
> Can anyone tell me what this secondary restrt does and how to enable it?
> Sometimes my restrt file is corrupted, so I wonder if this secondary
> restrt can help me ... Thanks.

This is not new and is documented in the manual... I use it all
the time for just the problem you mention. The drawback, if you want the
restrt files to be on the same interval as the trajectory (i.e. every 1
ps), you generate a LOT of these restart files.

What I do is compare the size of the final restart to the restrt.XXXXX and
if the final restart is truncated, copy in the last good one.

(If you get an error message from csh stating "argument list too long"
when trying to ls or rm these, do in csh

  foreach i ( restrt.*_* )
    /bin/rm $i

A while back I did implement a restart option that cycled through two
files alternating (so one was always correct), rather than keeping every
one, and this may be useful to consider for cases where you do not want to
generate all those files.

Received on Wed Apr 05 2006 - 23:50:02 PDT
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