[gmx-users] Boltzmann weighting factor when calculating properties.

Itamar Kass ikass at cc.huji.ac.il
Thu Jun 30 13:35:54 CEST 2005


Hi all,
     I just wonder if during calculation of molecule properties such  
as bond length, clusters and etc. the GROMCS uses the Boltzmann  
weighting factor in order to take into consideration the energy of  
the momently structures?
          Itamar.


===========================================
| Itamar Kass
| The Alexander Silberman
| Institute of Life Sciences
| Department of Biological Chemistry
| The Hebrew University, Givat-Ram
| Jerusalem, 91904, Israel
| Tel: +972-(0)2-6585194
| Fax: +972-(0)2-6584329
| Email: ikass at cc.huji.ac.il
| Net: http://www.ls.huji.ac.il/~membranelab/itamar/itamar_homepage.html
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