[gmx-users] about position restrain

Albert mailmd2011 at gmail.com
Fri Aug 19 20:42:05 CEST 2016


I built a homology model for membrane protein MD simulation. I would 
like to restrain the backbone of the protein. However, I am going to 
study the dimerization of this protein and I don't want to restrain the 
drifting of this protein, otherwise they would never forms a dimer 

According to my experiences, if we add position restrain to the protein 
backbone, probably the overall protein will stay in the same place 
forever. It won't drift to somewhere else.

I am just wondering what we can do?

Thank you very much


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