[gmx-users] excess use of suplhate ions

[Arunima Kumar]

Dear Sir

         I have performed MD simulation of a protein and the system uses  2
sodium and 19256 SO42   as charge neutralization system. I am unable to
understand why my protein uses this much of negative ions. Negative ions
used in such a high quantity might genertae a highly negative system.
Should i proceed further or check my protein in terms of amino acids before
proceeding to next step.

Thanks in advance

Yours sincerely
Arunima




Arunima Kumar Verma
SRF-NABG
Division of Molecular Biology & Biotechnology
National Bureau of Fish Genetic Resources
Dilkusha, Lucknow