Re: Molecular Dynamics or Langevin Dynamics

From: Marc Q. Ma (qma_at_oak.njit.edu)
Date: Wed Apr 27 2005 - 09:38:13 CDT

you should name it constant temperature molecular dynamics, or
molecular dynamics simulations of canonical ensemble, or MD of
isothermal ensemble.

Marc
On Apr 26, 2005, at 12:21 PM, sabri bora erdemli wrote:

> Hi all;
>  
> I am using NAMD for simulating protein complexes. In my simulation , I
> am using Langein Dynamics, which is already implemented in NAMD,in
> order to keep Temperature constant. When I would like to name my work,
> which of the following should I use, Langevin Dynamics or
> Molecular Dynamics?? Let me phrase in anoher way, Am I doing Molecular
> Dynamics or Langevin Dynamics? 
>  
> thanks in advance...   
>  
> Sabri Bora Erdemli
> Research and Teaching Asistant
> KOC UNIVERSITY
> Computational Sciences and Engineering
> Koc Universitesi  pk.218 34550
> sariyer/Istanbul  TURKEY
> tel no: 902123381736
> URL : home.ku.edu.tr/~serdemli         

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