[gmx-users] replica exchange data in cpt file

[João Henriques]

That's terrible! I was just about to restart 2 hefty REMD simulations...
Maybe I can move the original log files somewhere and combine them with the
restart ones afterwards by using a script. It's just an idea, because I
need to run Demux.pl on the final concatenated log file.

Any other issues I should be aware of?

Best regards,
João Henriques


On Thu, Apr 4, 2013 at 12:18 PM, francesco oteri
<francesco.oteri at gmail.com>wrote:

> This is what I meant,
> in particular it is a problem when I want to analyze
> the data regarding the exchange probability.
>
> Francesco
>
> 2013/4/4 João Henriques <joao.henriques.32353 at gmail.com>
>
> > So let me see if I understood what Francesco said correctly. Restarting a
> > REMD job after hitting the cluster wall-time limit resets the information
> > stored in the log files? Can someone shed some light on this subject?
> >
> > Best regards,
> > João Henriques
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> Cordiali saluti, Dr.Oteri Francesco
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-- 
João Henriques