Hello everyone ,I am a BME graduate student .
I just started using DS and I have some questions that I want to consult.
1. How should I handle the Invalid Residues to apply forcefield (molecular dynamics) ???
(1) Will it make a big difference if I delete the Invalid Residues?
(2) Where do I look up their parameters?
2.How should I set the ligand residue????
I put the ligand in Tumor necrosis factor alpha to make Molecular docking.
But I can't combine ligands into residues(like the ligand in 1SEM), so I can't apply forcefields.
I use SETUNA to take screenshots and it is very convenient. I want to share it with you.
Thank you for any kind of watch and help .