[gmx-users] Feature wishlist

[Sridhar Kumar Kannam]

Dear Gromacs developers,

A feature on constraining the CM of a molecule using harmonic potentials in
a chosen directions is useful. Pull code can be used to this in some cases
but not always, because the pull code is done with some restrictions to
account for periodicity.

Let say I want to constraint the CM of a molecules in the Z direction.

constraint-group      =  molecule
constraint-k             =  500
constraint-dim         = N N Y

Thanks.

-- 
Cheers !!!
Sridhar  Kumar Kannam :)