[gmx-users] Ligand is moving far away after energy minimization

[Ms. Aswathy S]

Dear Gromacs users,

I am doing the MD of protein ligand complex. When I did the energy minimization of this complex,   in the result , the ligand molceule is moving far away from the protein.

What could be the possible reason? can anyone tell me how can i overcome this?

Thanks in advance.

Aswathy
Amrita School of biotechnology
Dept. Biotechnology
Ext. 3108