[gmx-users] Two Sodium ions in ATP file

Mike Jargas dosstopher at hotmail.com
Fri Feb 14 18:08:15 CET 2003

Hi there,

I am trying to use the new force field for a simulation.  I want to put 
Sodium ions in the simulation, but when I look in the ffoplsaa.atp file 
there are two entries for Na+ ions.  One is referenced by opls_405 and the 
info on it says JACS 106, 903 (1984)
The other is referenced by opls_407 and the info says Aqvists cation.

What is the difference between these two entries?  Are they meant for 
different types of simulations?

Thanks a lot!


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