...ok i misunderstood the com_t0 option. I'll try to introduce a virtual
particle without interactions, define a group on this and constrain the protein
distance to the particle.
Best
Martin
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Hi there,
Maybe somebody has a hint what I did wrong there: I wanna constrain the com of
a protein to a fixed position in the box (e.g. to com_t0)?
I tried...
runtype = constraint
reference_group = Protein
reftype = com_t0
pulldim = Y Y Y
constraint_direction = 1.0 1.0 1.0
ngroups = 1
group_1 =
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