GROMACS version:2023.2
GROMACS modification: Yes/No
Hello, dear readers,
I want to analyze the binding energy between rings of a lipid-embedded nanotube system with PB and Decomposition analysis of gmx_mmpbsa. Is an interval of 100 frames sufficient for analyzing a 200 ns simulation of a nanotube system in gmx_mmpbsa? The dt of md run was 0.002, and the nstxout was 500.