[CP2K:6022] Re: RESTART using REFTRAJ

[hut... at chem.uzh.ch]

Can't you use the 
FIRST_SNAPSHOT keyword in the REFTRAJ section?
No need to edit the files? 

regards

Juerg
--------------------------------------------------------------
Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C                FAX   : ++41 44 635 6838
Universität Zürich                   E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
---------------------------------------------------------------

-----cp... at googlegroups.com wrote: -----To: cp... at googlegroups.com
From: tobias.l... at gmail.com
Sent by: cp... at googlegroups.com
Date: 01/21/2015 01:55PM
Subject: [CP2K:6022] Re: RESTART using REFTRAJ

Thanks for the reply. This should work fine but a little bit annoying for large molecular systems with 3000 timesteps and about 5000 file-rows per timestep.
But nevertheless this method works :)




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