Query about Pele and McPele

[MamtaMohan]

Dear Jacob,

I came across reference for Pele in Dr. Wales's paper during my research.

McPele as described on github is a, Monte Carlo general purpose framework and MPI/mpi4py based Replica Exchange Method.

I am working with GSHMC (Generalized Shadow Hybrid Monte Carlo) method. I was wondering if I can use generated output to be processed via Pele.

I would appreciate your response.

Mamta

[personality-lk]

Hello! I would like to ask if you are using GSHMC with the e-MAIA method? I also need to perform CMD enhanced sampling, so could you please share your modified version of Gromacs? Thank you very much!