question on autocorrelation function and temperature controlling

From: Hyonseok Hwang (
Date: Fri Apr 30 2004 - 17:09:44 CDT

Dear all,

I'm trying to calculation the force-force autocorrelation function and I
'm using the Langevin temperature method as the temperature controlling
method. My question is whether I can still use the Langevin temperature
controlling method or I should turn off the temperature controlling
method when I carry out the MD simulation for the calculation of
force-force autocorrelation function after the equilibration.

Thank you very much.


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