how to apply different temperature simultaneously to different atoms in the same system

From: charlie (
Date: Wed Apr 27 2011 - 02:41:08 CDT

Dear all
I want to compute the thermal conductivity and thermal diffusivity of the proteins, as well as the thermal conductance of the proteinĘCwater interface. So I need a temperature gradient in one direction. How can I apply diffrent temperatures to diffrent parts of protein. I'm not sure if it is right ú║
langevin on
langevinCol O
langevinTemp 300
langevinFile 1.ref
langevinTemp 320
langevinFile 2.ref
Best wishes

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