GROMACS version:2021.4
GROMACS modification: Yes/No
Here post your question : I want to study a biphasic system cyclohexane-water at temperature 240K. So as per tutorial, where I have to create an equilibrated box of cyclohexane first, there do I need to change the temperature to 240K during the equilibration step?
Also, can anyone please help me in preparing the biphasic system using packmol, as it’s easier to do it there according to its input example.