[gmx-users] How to freeze the atoms?

nbsp;Dear all nbsp;nbsp;nbsp;nbsp;nbsp;nbsp; I attach 8 carbonyl groups onto a carbon nanotube (CNT). Each carbonyl group is considered as a residue named Car and each carbon atomnbsp;in the CNT is considered as a residue named Gr1. In the mdp file, the freezegrps are Gr1 and Car, and the

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