[gmx-users] about position restrain
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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