[gmx-users] excess use of suplhate ions
arunima.kumarinfo at gmail.com
Mon Sep 24 09:01:33 CEST 2012
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
Arunima Kumar Verma
Division of Molecular Biology & Biotechnology
National Bureau of Fish Genetic Resources
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