[gmx-users] Adding charges to a protein to observe interaction

chinnu657 cma1g09 at soton.ac.uk
Mon Aug 5 16:19:29 CEST 2013


I have a box with 2 proteins in them. I want to add charges to each of the
protein so that I can
observe how the respective protein interacts with their respective charge
cloud. The proteins I'm using are 2CDS.pdb and 1AKI.pdb from the RCSB bank.

>From what I figured, I tried using genion under the impression that I could
replace the solvent molecules with CL ions but I don't think this worked. 

I'll really appreciate some help on this.

Kind Regards,

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