Hello Everyone, I am new in Gromacs. I am using gromacs for protein-ligand complex.
I have few question ? 1): how to fix water during simulation ? 2): how to fix protein and ligand during simulation ? 3) how to fix few crystal water molecule during simulation ? 4) how to fix specific water molecule in simulation ? Thanks in advance. -- ----------------------------------------------------------------- Haresh Ajani 09925522578
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