[gmx-users] Mutation

Mohammad Goodarzi mohammad.godarzi at gmail.com
Wed Sep 26 21:59:02 CEST 2018


I am trying to check for stability of a protein based on single point
mutation. I follow the protocol as described here
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.


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