Merge pull request #474 from carlocamilloni/main

text

README.md

@@ -1,5 +1,5 @@
 # Multi-*e*GO: a multi-ensemble Gō model
-[![Version](https://img.shields.io/badge/Version-beta.3-blue)](https://github.com/multi-ego/multi-eGO/releases)
+[![Version](https://img.shields.io/badge/Version-beta.4-blue)](https://github.com/multi-ego/multi-eGO/releases)
 [![License: GPL v3](https://img.shields.io/badge/License-GPL%20v3-blue.svg)](http://www.gnu.org/licenses/gpl-3.0)
 [![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black)
 [![Multi-eGO test](https://github.com/multi-ego/multi-eGO/actions/workflows/test.yml/badge.svg)](https://github.com/multi-ego/multi-eGO/actions/workflows/test.yml)

src/multiego/io.py

@@ -518,8 +518,8 @@ def print_stats(meGO_LJ):
     print(
         f"""
 \t- LJ parameterization completed for a total of {len(meGO_LJ)} contacts.
-\t- Attractive: intra-domain: {intrad_a_contacts}, inter-molecular: {interm_a_contacts}
-\t- Repulsive: intra-domain: {intrad_r_contacts}, inter-molecular: {interm_r_contacts}
+\t- Attractive: intra-molecular: {intrad_a_contacts}, inter-molecular: {interm_a_contacts}
+\t- Repulsive: intra-molecular: {intrad_r_contacts}, inter-molecular: {interm_r_contacts}
 \t- The average epsilon is: {intrad_a_ave_contacts:5.3f} {interm_a_ave_contacts:5.3f} kJ/mol
 \t- Epsilon range is: [{intrad_a_min_contacts:5.3f}:{intrad_a_max_contacts:5.3f}] [{interm_a_min_contacts:5.3f}:{interm_a_max_contacts:5.3f}] kJ/mol
 \t- Sigma range is: [{intrad_a_s_min_contacts:5.3f}:{intrad_a_s_max_contacts:5.3f}] [{interm_a_s_min_contacts:5.3f}:{interm_a_s_max_contacts:5.3f}] nm