Langevin process in NAMD tutorial

From: yi jiang (
Date: Mon Oct 11 2010 - 11:14:22 CDT

Dear all,

I am a new to NAMD and have a basic question about the Langevin process in
NAMD tutorial.

I noticed in example 3 (1-3-box), both PME and Langevin process are
activated in the configuration file "ubq_wb_eq.conf". However, according to
what I understand, it seems that people just need one of the two methods to
do MD.

Which one is actually used in the example? Or they are used to deal with
different problems?

I will be very appreciated if there is someone answer this basic question

Thank you for your attention.

Yi Jiang

Graduate student
Department of Mathematical Sciences
University of Wisconsin Milwaukee
Milwaukee, WI 53211

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