[gmx-users] Mg ion not recognize.

akalabya bissoyi bissoyi.akalabya at gmail.com
Mon Apr 13 05:54:50 CEST 2009

"hello gromacs, i am trying to simulate my protein ligand complex but my
protein contains Mg ion and while running Gromacs error is coming in command
pdb2gmx.It is not able to recognize Mg ion.
I included the coordinates for Mg ion in protein pdb file.And when i
included coordinates for Mg ion in ligand file , Prodrg server was showing
error during generation of ligand toplogy file as it doesnt include Mg ion.
So pls suggest me how can i do this job.."

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