[gmx-users] Feature wishlist

[Mark Abraham]

Hi,

I suspect you can do this already with a COM virtual site upon which you
place a position restraint.

Mark

On Sun, Mar 29, 2015 at 1:02 AM, Sridhar Kumar Kannam <srisriphy at gmail.com>
wrote:

> 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 :)
> --
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