[gmx-users] maintaining the overall conformation of a protein during simulation

[Lee Soin]

Hello!
I want to maintain the overall conformation of a protein during simulation.
Is it recommended that I
(1) use distance restraint generated by genrestr -disre
(2) use distance constraint generated by genrestr -constr
or
(3) specify in [ bonds ] type 6 for each pair of C-alpha atoms

Thanks!

-- 
SUN Li
Department of Physics
Nanjing University, China
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