Question: Gromacs-Molecular simulation of a protein and ligand
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gravatar for ashishajayan
3.2 years ago by
ashishajayan0 wrote:

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?

software error • 1.1k views
ADD COMMENTlink modified 3.2 years ago by genomax84k • written 3.2 years ago by ashishajayan0

Please use https://atb.uq.edu.au for generation of itp file. Post the full error for MKTOP.

ADD REPLYlink modified 2.9 years ago • written 2.9 years ago by dasdevashishdas120
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