[CP2K:4068] Replica-Exchange Molecular Dynamics

Alin M Elena alinm... at gmail.com
Mon Oct 1 11:03:48 UTC 2012

Hi Janos,

Here it is... this is a dirty script I wrote for pt.
it is bash and python... and of course you will have to adapt for your 


On Friday 28 Sep 2012 07:52:02 Janos... at googlemail.com wrote:

Dear All!

Is there anyway to perform REMD with CP2K? Either by the program if I missed 
it, or by applying some external ready to use script/program?

Best wishes,

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Without Questions there are no Answers!
Alin Marin ELENA
Advanced Molecular Simulation Research Laboratory
School of Physics, University College Dublin
Ardionsamblú Móilíneach Saotharlann Taighde
Scoil na Fisice, An Coláiste Ollscoile, Baile Átha Cliath

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