[gmx-users] About Counter-ion
yerca at sunni.cnu.ac.kr
Tue Jul 2 01:48:19 CEST 2002
Dear GROMACS USERS...
I need your advice.
I have -4.00 charge molecule and +1 charge molecule.
I want to run normal M.D with this two Molecules in one system.
but, I don't konw whether using Counter-ion or not.
I think three cases.
1. using Counter ion ( 4 Na+ and 1 Cl- )
2. not using Counter ion ( Total charge -3.00 )
3. Adding Hydrogen atom ( to make -OH instead of O-1 , and NH2 instead of NH+1 )
Which is more favorate and more stable ?
please, your advice.
p.s : I'm sorry that my previous mail is broken character. because of my program is encoding my language.
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