GROMACS version: 2024.1
GROMACS modification: No
Hi, I am going through the codebase and found this t_iparams which holds the force parameters. Now, when I am running the MD simulation with 23558 atoms, I want to extract the LJ Parameters from this vector of struct t_iparams ‘’‘topGlobal_.ffparams.iparams’‘’. But the length of the vector is 110 only. So, is where the actual parameters stored or is it some kind of a map?
Thanks.