Hi Everybody
I'm going to carry out MD simulation using LAMMPS in order to get IFT of two neighboring fluids. Firstly, what's the best ensemble? and what should I do?
I've recently realized the NPnAT is the proper ensemble for that task. But, I don't know how to take it in LAMMPS input-file? Is there such option?
Many thanks in advance.
Bests
Amir
With Kind Regards
Saeedi Dehaghani Amir Hossein
Assistant Professor
Department of Petroleum Engineering
Faculty of Chemical Engineering
Tarbiat Modares University
Address: Tarbiat Modares University, Jalal Ale Ahmad Highway, Gisha Bridge, Tehran, Iran
Mob: +98-9122892230
Tel: +98 21 82883350
Fax: +98 21 82883350