"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.."
AKALABYA BISSOYI. N.I.T.Rourkela
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