I am working on a transmembrane protein. I have sucessfully build the membranes for most of my ligand- protein complexes using charmm gui, but for few complexes the charmm just terminates the job abnormally showing the error stated above. I have tried correcting and re-formating the the pdb and mol2 files of the ligands, nothing is working. two of the ligands are reference compounds which I will be using on wet lab later as positive controls. I want to know 1: How to get rid of this issue/error? 2: Can I proceed with my test compounds without reference compounds because the refernce compounds are well established/documented positive wet lab controls but showing poor results (vina scores) on docking and error in building membrane on charmm gui. please guide me.

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