Docking After Energy Minimization - Receptor File Too Large
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11.3 years ago

I created a single amino acid change in a protein and energy minimized in gromacs using CG algorithm. After converting the file from .gro to .pdb using editconf option, I uploaded the .pdb file in cluspro for docking. But it says the receptor file is too large. I was able to dock the unmutated protein without energy minimization. How do I overcome this problem?

docking • 3.1k views
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Check if you can open the file properly in pymol or other viewer and its size is similar to that of the original file. Did you add water and ions before energy minimization which you forgot to remove?

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