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

[amnah]

GROMACS version:
GROMACS modification: Yes/No
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Hi GROMACS user

How to perform Gaussian Accelerated Molecular Dynamics (GaMD) using Gromacs?
What are the parameters that we need to change in mdp file to perform GaMD?

Thank you all
Amnah

[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