Elahe Hoseinnia

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Questions related from Elahe Hoseinnia

What are some potential solutions to fix the inconsistent residue types in the protein chain?

I wanted to do a protein and ligand simulation in GROMACS when I encountered this error, and my force field is CHARMM: The residues in the chain THR32–HIS369 do not have a consistent type. The...

17 September 2024 358 1 View

How do I insert the drug at a certain distance from the membrane by using GROMACS?

I want to insert the drug at a certain distance from the membrane. The membrane is prepared in Charmm-GUI. 1. Do I have to remove water and ions from the membrane, add the drug molecule with the...

26 May 2024 7,583 0 View