[gmx-users] How to calculate the number of salt ions?

Vivek Raut vraut at CLEMSON.EDU
Wed Mar 24 07:52:01 CET 2004

Calculate volume of your system box. Standard concentration of Na+& Cl- is
around 143 mOsmole/liter. With this concentration, calculate no. of ions for
your water box. Then use command genion to add those many atoms to your

  -----Original Message-----
  From: gmx-users-admin at gromacs.org [mailto:gmx-users-admin at gromacs.org]On
Behalf Of Yinghong
  Sent: Tuesday, March 23, 2004 10:57 PM
  To: gmx-users at gromacs.org
  Subject: [gmx-users] How to calculate the number of salt ions?

  Hi, all:

  To make the simulation under a more natural environment, maybe, some NaCl
molecules are needed to add into water solvent.

  My question is whether this step is necessary? and how many Na and Cl ion
pairs should be added?

  This problem is probably a little silly, but I do wanna know about the

  Your help will be greatly appreciated!


  Xie YH

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