Does SASA depend on the size of residue?

User discussions
1

GROMACS version: 2021.4
GROMACS modification: No

Hi everyone,

I’m currently analyzing my dye-water simulations for SASA using gmx SASA. I have two dye residues of different sizes. I noticed that the smaller residue has a lower SASA value than the larger one. However, when I looked at the gmx hbond analysis, I found that the smaller molecule had a higher hydrogen bond compared to the larger one. As per Hbond analysis, smaller molecules are more hydrophilic, but sasa shows an opposite trend.

I have a question about whether SASA depends on the size of the residue. Can you help clarify this concern?

Thank you,
Ram