[gmx-users] Mutation

[Mohammad Goodarzi]

Hello,

I am trying to check for stability of a protein based on single point
mutation. I follow the protocol as described here
http://pmx.mpibpc.mpg.de/tutorial_peptide/index.html
basically I can do folded one and calculate the delta G but for unfolded I
don't know how to do that. is there anyone could give me some advise on how
to initiate the structure ? I believe the rest of the analysis is the same
but my problem is only the creation of topology and structure of it.


Thanks,
Mo