[gmx-users] about non-zero charged system

David van der Spoel spoel at xray.bmc.uu.se
Tue Sep 17 15:00:10 CEST 2002

On Tue, 2002-09-17 at 13:22, xu yechun wrote:
Dear all,
   I have a question about adding ions to non-zero charged system. For
example, a system with 8 positive charge, Is it enough to add only 8 CL
ions on the system? I think that the system should be added another more
number of Na and Cl ions to reach physiological concentration. Would I
calculate the volume of the solvated system and following the
physiological concentration 0.154mol/l to calculate the number of Na and
Cl ions? 
yes. 1 ion per 360 water molecules. If you have more than 2880 waters
you may want add other ions too.

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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