Thanks, Tom. I didn't read NTWR description carefully.
Guanglei
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
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
> 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
to
> generate all those files.
>
> --tom
>
Received on Wed Apr 05 2006 - 23:50:02 PDT
