[gmx-users] How to freeze the atoms?

toby10222224 at sina.com toby10222224 at sina.com
Tue Jun 23 11:00:12 CEST 2009

 Dear all
       I attach 8 carbonyl groups onto a carbon nanotube (CNT). Each carbonyl group is considered as a residue named "Car" and each carbon atom in the CNT is considered as a residue named "Gr1". In the mdp file, the freezegrps are Gr1 and Car, and the freezedim are Y Y Y Y Y Y. Does it mean that all the C in the CNT and C and O in the carbonyl groups are fixed in three dimensions and they can not move in any direction. However, when I made the energy minimization, the coordinates of C and O in carbonyl groups changed.
      How can I really fix the atoms? Look forward for your suggestions!
Yours Sincerely
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