SMD and langevin dynamics

From: snoze pa (snoze.pa_at_gmail.com)
Date: Sat Feb 06 2010 - 19:00:15 CST

Dear NAMD users,

I have a question related to SMD simulation related to langevin
dynamics. In SMD simulation (stretching) of deca-alanine in vacuum
constant temperature tutorial, the value of langevin is ON
(http://ftp.ks.uiuc.edu/Training/Tutorials/science/10Ala-tutorial/files/smd.namd
)

while in ubiqutin tuorial
http://www.ks.uiuc.edu/Training/TutorialsOverview/namd/namd-tutorial-html/node17.html
langevin is set to OFF.

Which one is right preference for langevin in SMD simulation.

Thank you very much for your time and help.
S

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