I have been able to assign the CHARMM forcefield to my ligand i.e. acetyl coenzyme A but not the amber forcefield. I want to run amber forcefield and the parameterization of ligand is failing. I am also attaching the structure of the complex to which I want to assign the amber forcefield. Kindly, someone help me with this.
Hello Simran,
If you have a problem with the ligand force field (ff), you can use another web server like ATB (https://atb.uq.edu.au/), LigParGen, etc.
If you want to do everything in tleap, what error are you encountering?
Secondly, you can prepare your ligand parameters using the CGenFF force field. Then submit your structure to the CHARMM-GUI web server to prepare your force field parameters with ligand(CgenFF). After that, you can convert your force field parameters to either AMBER 14 or 19, or any other force field.