Re: amber-developers: save secondary restart

From: Guanglei Cui <>
Date: Mon, 17 May 2004 09:07:59 -0700

Thanks, Tom. I didn't read NTWR description carefully.


Thomas E. Cheatham, III wrote:

>>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
> 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
> 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
> end
> )
> 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
> generate all those files.
> --tom
Received on Wed Apr 05 2006 - 23:50:02 PDT
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