[gmx-users] genion
Alberto Malvezzi
malvezzi at iq.usp.br
Wed Jan 5 21:07:55 CET 2005
Dear Collegues,
I know his subjec has been discussed alredy, but I still havent got the
answer.
My system has a charge of -12.
If a use genion with no -random flag, all Na ions are placed on the box
wall.
If I place the -random flag genion works fine, that is, randomly places
the Na ions around the protein.
But I was hoping to to place the ions based on the electrostatic
potential, not randomly!
What am I doing wrong?
Thanks
Alberto
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