[gmx-users] Folding simulation using gromacs

AINUN NIZAR M 0810710019 at mail.ub.ac.id
Wed Oct 1 04:08:56 CEST 2014

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


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