From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Sat Jul 21 2018 - 06:06:53 CDT
Do you want to constrain (or restrain) each atom individually, or the
center of mass of groups of atoms? In the second case, your most flexible
choice is Colvars (
using the *distance* and *distanceXY* coordinates.
On Fri, 20 Jul 2018 at 08:18, Abhijit Gogoi <gogoiabhijit10_at_gmail.com>
> Dear All,
> I want to constrain 2 parts of my simulation system. For
> one part I want to apply constrain in all (X,Y,Z) directions and for the
> other part I want to apply constrain only is XY plane. Is it possible with
> "constraints" option of NAMD.
> I have tried "constraints" option for one part for constraining all the
> directions and for constraining the other part in XY plane I have used
> "SMD". However with SMD only center of mass will be constrained, but I want
> to constrain each atom of that part.
> Please suggest something.
> Abhijit Gogoi
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