GROMACS version: 2022
GROMACS modification: No
Here post your question:
Hi, friends in this Gromacs forum:
I am a novice in gromacs, but I can finish MD of glycoproteins using charmmGUI (which is highly novice-friendly). Now I have a big challenge with antibody-drug-conjugate (ADC) MD simulations.
As the starting point, I know I have to add unnatural residues into the force filed file. Is somewhere I can see a step-by-step guidance for adding unnatural residues into the force field?
Many thanks in advance.
from Reece