[gmx-users] Folding simulation using gromacs

[AINUN NIZAR M]

Dear all users,

I'm a newbie in MD. I would like to simulate a protein folding, from a
primary protein structure to a fully-folded state  for a wild type and
mutated protein. Then I will compare them and make movie from unfolded to
folded state. I want to use REMD method. I want to know the system free
energy as well. Can i do it with gromacs?

any kind of information and suggestion are welcome.

sorry for my bad english

Thanks.