[gmx-users] restraint the CM of a molecules in any one of the directions.

[Sridhar Kumar Kannam]

Dear Users,
I am just resending the email.

Constraining the CM of a molecules is a basic need of MD. Is that feature
not available in Gromacs ?

Thank you.

On Wed, Nov 19, 2014 at 11:20 AM, Sridhar Kumar Kannam <srisriphy at gmail.com>
wrote:

> Hi All,
>
> Is there a way to restraint the CM of  a molecules in any one of the
> directions. I have been through the manual and the user list but could not
> find a solution.  It seems we can implement the position restraints only on
> atoms but not on the CM of a molecules. I want the molecule to rotate
> freely, applying the atomic position restraints do the job but it prevent
> the rotation of the molecule.
>
> Any suggestions ?
>
> Thank you.
>
>
> --
> Cheers !!!
> Sridhar  Kumar Kannam :)
>
>
>
>


-- 
Cheers !!!
Sridhar  Kumar Kannam :)