emptyewer / gromacs-gamd Goto Github PK

Hello,

I have some general questions about this gromacs-gamd:

1 - What's the difference between gromacs-gamd and Essential Dynamics sampling implemented in the recent versions?
2 - Is this work based on "Flooding in GROMACS: Accelerated barrier crossings in molecular dynamics" (https://onlinelibrary.wiley.com/doi/epdf/10.1002/jcc.20473)?
3 - Is there any conceptual difference between this implementation and the one from Miao's group (http://miao.compbio.ku.edu/GaMD/index.html)?

Thanks in advance,

Best,
-Yasser