GROMACS version: 2025.2-foss-2023a-cuda-12.5.0-hybrid
GROMACS modification: No
Hi, I’m doing some work and it was suggested that I use gmx sasa to calculate the SASA of some binidng sites. I’m having issue with on particular protein structure however, no matter what I do it always gives a value of 0 even if I attempt to measure the SASA for the entire protein structure I still get 0.
I’ve tried a few things (regerating ndx file, using editconf to create a new file for the structure etc) but no matter what I get I still get a 0. I’ve also visualised and checked the files contents and its doesnt look like theres anything strange going on inside there.
The pdb I’m looking at is 8V8U in case anyone can spot the issue I’m missing. Everything else I’ve looked at so far has worked fine besides this structure.
Thank you in advance.