Hello
Do you use a specific simulation?
I would like to do design for this extracted compound performed to get high efficiency of it to extract my aim.
So, can you help me with this issue?
Molecular dynamics (MD) simulations were performed
with the standard periodical boundary conditions using the
[login to view URL] program version 5.0.3.
I am using lammps to run simulations.I think I will be able to help you .If you intersting contact me.
Best regards !
Sanjaya Viraj
Relevant Skills and Experience
Molecular Dynamics
Lammps
VMD