Dear Votca Users, I wish to reproduce my atomistic simulation angles of my protein with CG between beads of residues. However I wish not to produce tables as an input to gromacs mdrun but get the equilibrium value and then adjust the spring constant to make it faster. For this purpose shall I just create distributions or histograms normalized over the volume? Then place my spring where the distribution is max so set angle in gromacs to this value and adjust the force constant to match this distribution? Please, advise whether I am right.
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