[gmx-users] Two Sodium ions in ATP file
dosstopher at hotmail.com
Fri Feb 14 18:08:15 CET 2003
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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