[gmx-users] how to include ionic strength

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jun 4 09:09:35 CEST 2009

amri ta wrote:
> Dear gromacs users,
> I am simulating a protein which works in salt solution within cell. I 
> have to include 4M salt (say, NaCl) to the simulation box. How can i 
> include such ionic strength? Please outline me the procedure.

If you do some tutorial material, you will find out the procedure for 
adding ions. Finding out how many ions to add is for you to calculate :-)


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