Thank you so much for your answer. I hope I won't take up too much of your time but I have two more questions: The value given as "external force strength" is the total force applied on the set or it is the force per molecule? The other one, my set contains water molecules and Na and Cl ions. Do I need to use a different function for ions?
Thanks in advance for your kind interest,
My set contains 900 water molecules, 97 Na and 97 Cl ions. Is this script appropriate for this large set of molecules?
Thank you so much for your help,