[gmx-users] None constraints and l-bfgs.
addiw7 at googlemail.com
Wed Jul 29 13:30:43 CEST 2015
Dear Gromacs Experts,
I am trying to run l-bfgs minimization with following options (apart from
integrator = l-bfgs ; (other: cg, l-bfgs)
constraints = none ; no constraints
but I still get a message that l-bfgs does not work with constraints so I
should either change to cg or steep (which work) or remove constraints.
Aren't my constraints removed with the keyword above? I also use restraints
but this is a different case, isn't it?
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