Langevin Dynamics Coefficient Value -Reg

From: Mani Kandan (
Date: Tue Nov 06 2018 - 11:30:09 CST

Dear all,
             What are the important things to be considered while choosing
the Langevin dynamics coefficient value? I want to maintain the diffusion
coefficient of water as same in experimental conditions. Then what is the
appropriate value of Langevin dynamics coefficient value that I have to

            I found some researchers are using 5.0 1/ps value for Langevin
coefficient. Is these value enough to represent experimental conditions?
Kindly help me in this regard.


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