How to perform Gaussian Accelerated Molecular Dynamics (GaMD) using Gromacs

[cblau]

Hi Amnah,

Have a look at this post, where we discussed Gaussian accelerated MD in GROMACS:

Gaussian accelerated MD (GaMD)

GROMACS version: GROMACS modification: Hi all, After a quick search, I see that GaMD is not implemented in GROMACS. Is there any plan to include it in future releases? I found this branch in Github https://github.com/emptyewer/gromacs-gamd (it has 5 years old, though). Does anyone used it and/or recommended it? Thanks in advance. Best, -Yasser