Hi Alan,
thank you for the reply.
I have already read the previous related questions, but thanks for
pointing that out anyways. I will develop my doubt further here.
According to what I saw in the list I can simply borrow the parameters
from the force field gbsa.itp in a chemical
Hi, the issue is not with Antechamber or Acpype. There were similar
questions to yours here (try searching GMX mail archives). The problem is
you need to create the GBSA.itp parameters for you ligand.
Which Acpype does is to create/convert Amber/GAFF parameters to usual MD in
Gromacs.
Alan
On 12
2 matches
Mail list logo
