Dear All,
I would like to use Umbrella Sampling in PLUMED and LAMMPS for studying peptide interactions with surface. The problem is, I cannot find an example of usage Umbrella Sampling in Plumed for studying peptides (or amino acids) interactions with a surface. I do believe there are some simulation already performed/available in LAMMPS involving umbrella sampling in PLUMED.
It would be great if somebody could share with me an example of PLUMED script.
Thank you.
Kind Regards,
Mikhail