Hello community,

I hope my message finds you well.

I am a user of Materials Studio (MS) software, which I use mainly for calculations of adsorption, interactions and dispersion forces. However, I have noticed that the values obtained are abnormally high compared with those reported in similar studies, even though they were carried out using comparable parameters.

I would therefore like to test the use of scripts in MS to better understand and identify the source of the problem. Unfortunately, I'm not at all familiar with the structure or writing of these scripts.

Any help, suggestions or sharing of script examples would be very welcome and much appreciated.

Thank you in advance for your support!

All the best,