VMD-L Mailing List

From: Mikhail Suyetin (msuyetin_at_gmail.com)
Date: Mon Apr 22 2019 - 01:33:04 CDT

Dear All,

I would like to use Umbrella Sampling in PLUMED and NAMD 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. It would be great if somebody could share with
me an example of PLUMED script. I do believe there are some simulation
already performed/available in NAMD with involving umbrella sampling in
PLUMED.

Thank you.

Kind Regards,
Mikhail