Hello,
I am a new user of LAMMPS. Currently, I am trying to simulate the melting process of several types of n-alkane using CHARMM or COMPASS interatomic potential.
Any suggestions about tutorials/resources about it?
Thank you.
Regards,
Rizal
You should start by surveying the published literature to learn what others have done to study this process. Once you have the “big picture” you can look into details of how to realize your project.
You should probably also look for someone local with some experience that can look over your shoulder and give you notes on how to approach it. The kind of advice you are looking for is not easy to convey via email.
Axel.
Thanks for the advice.
Regards,
Rizal