andrew.bostick1 at gmail.com
Sun Mar 16 14:49:39 CET 2014
Thanks for your reply
I want to use Zn2+ ions with my protein.
There is Zn2+ ions in atomtypes.atp file of opls force field. But there is
not Zn2+ ions in ions.itp file of of opls force field.
Based on your answer, now, I can not use Zn2+ ions in genion tool.
Is it true? But I used
genion -s ions.tpr -o mol.gro -p topol.top -np 2 -pname ZN -pq +2
and I did not encountered with error and solvent molecules replaced with
I confused. Please give me more explanations.
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