Gromacs-Molecular simulation of a protein and ligand
In gromacs after setting the forcefield, I get an error saying that my residue is not found in the topology database and thereby asked me to create a topology for the residue using the tool MKTOP. But it gives me an error saying that atom 1 has no conect. How do i proceed further?
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GenoMax
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ashishajayan •
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Please use https://atb.uq.edu.au for generation of itp file. Post the full error for MKTOP.