[gmx-users] Free energy including change in temperature

Andreas Mecklenfeld a.mecklenfeld at tu-braunschweig.de
Tue Apr 26 13:48:10 CEST 2016

Dear Gromacs users,

I would like to try a free energy calculation including a change in 
temperature using the temperature-lambdas-vector. It says in the online 
manual that each entry has to be between 0 and 1. How can I define the 
corresponding temperatures (something like couple-lambda0 / 

Thanks & regards,

M. Sc. Andreas Mecklenfeld

Technische Universität Braunschweig
Institut für Thermodynamik
Hans-Sommer-Straße 5
38106 Braunschweig
Deutschland / Germany

Tel: +49 (0)531 391-2634
Fax: +49 (0)531 391-7814


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