diff --git a/README.md b/README.md
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--- a/README.md
+++ b/README.md
@@ -4,10 +4,11 @@
 
 
 (siebevanlommel 2026)
-/spectrum uses molmod+yaff library dependencies, which can break on newer Ubuntu versions
+
+/spectrum uses old molmod+yaff library dependencies, which can break on newer Ubuntu versions
 /spectrum_ase uses an networkx+ase solution, which should fix this
 
-This repository contains data related to the following publication in ACS-JCTC: <https://doi.org/10.1021/acs.jctc.3c01414>. The folder `vasp/` contains input files for the structural optimization and NMR calculations of the covalent organic framework materials studied. The folders `spectrum/` and `spectrum_ase/` contains the following Python scripts and files, which may be used to produce a computational NMR spectrum based on theoretical shielding data using the gs model as described in the main text:  
+This repository contains data related to the following publication in ACS-JCTC: <https://doi.org/10.1021/acs.jctc.3c01414>. The folder `vasp/` contains input files for the structural optimization and NMR calculations of the covalent organic framework materials studied. The folders `spectrum/` (old) and `spectrum_ase/` (new) contain the following Python scripts and files, which may be used to produce a computational NMR spectrum based on theoretical shielding data using the gs model as described in the main text:  
   (a) `classify_carbon.py`  
   (b) `gs_model.py`  
   (c) Input and output files as an example of the usage of the scripts.