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

[Sridhar Kumar Kannam]

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 :)