[gmx-users] How to neutralize a protein

Xavier Periole periole at inka.mssm.edu
Wed Jun 11 17:56:01 CEST 2003

Hello Jia-lin,

The idea is not to neutralize the protein but the system to avoid any
artefactual behavior. This is even more important when using PME. 
In general people add ions in the solvent to get a net charge of zero. 
In your case it would be Chloride.

genion does that for gromacs.


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