Re: [gmx-users] How to freeze the atoms?

toby10222...@sina.com wrote: 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 fr

[gmx-users] How to freeze the atoms?

 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 i