[gmx-users] Insertion of chromium III ion into lipid bilayer

Sathya bti027.2008 at gmail.com
Sat Oct 19 16:27:19 CEST 2013


    I want to add chromium III ion into lipid bilayer.  I have included cr
entry in the ions.itp file,  and I used grompp it shows error like Atom
types cr+3 is not found. After removing cr ions from the ions.itp file it
works and after using genion to add cr3+ ions into lipid the following
command was used.

                     genion -s ions.tpr -o dppc_solv_ions.gro -p topol.top
-pname CR -pq 3

But it shows ""No ions to add and no potential to calculate.. ""
Is it necessary to include chromium entry in the ions.itp file?  What file i
should modify to add cr into lipid? 
Please explain me to solve this..


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