[gmx-users] Ion in simulation

Itamar Kass ikass at cc.huji.ac.il
Tue Feb 3 17:03:01 CET 2004

   Hi all, in the system I have protein in membrane, DMPC and water, and 
the net charge is -2, were the simulation box is 
6.1082x6.1082x6.6675nm.  In the literature I see that people add ions 
in order to prevent net charge in the system (etc. Forrest et. al. 2000 
Biophys J. 78:55-69).
   My question is does it important?  After all, in the real world such 
small box does not has net charge of zero 100% of the time.
   thanks, Itamar.

Computers are like airconditioners... They don't work well with Windows 

| Itamar Kass
| The Alexander Silberman
| Institute of Life Sciences
| Department of Biological Chemistry
| The Hebrew University, Givat-Ram
| Jerusalem, 91904, Israel
| Tel: +972-(0)2-6585146
| Fax: +972-(0)2-6584329
| Email: ikass at cc.huji.ac.il
| Homepage: 
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