[gmx-users] distance constrain of two groups
m21.tang at qut.edu.au
Fri May 22 14:33:22 CEST 2015
After energy minimization, I want to equilibrate my triple helix using NPT, but need to keep its general shape, as I want to study the load-deformation relationship including the triple helix unfolding stage. During the equilibration, I want to fix the distance between the centre of mass of two group atoms along the vector connecting the two groups.
Could anybody tell me how can I do this？
Thanks in advance.
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