[gmx-users] Insertion of chromium III ion into lipid bilayer
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..
View this message in context: http://gromacs.5086.x6.nabble.com/Insertion-of-chromium-III-ion-into-lipid-bilayer-tp5011884.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
More information about the gromacs.org_gmx-users