[gmx-users] question regarding genion
sarbani_c84 at rediffmail.com
Fri Sep 12 09:30:11 CEST 2008
I want to place my counterions close to the charged amino acids. I am aware of
the fact that even if the counterions are randomly added yet they will eventually settle during
equlibration. But still I will like to start with a structure that has counterions close to charged
I have been going through the archive and the manual but I could not figure out how to
disable the default option of "-random" while using the "genion" command.
Can anyone guide me through the command that is required to add counterions based on
potential so that the counterions are closed to the charged residues?
Thanks in advance
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