[gmx-users] how to define the dummy atoms in gromacs

He, Yang yang.he at mavs.uta.edu
Mon Mar 30 20:40:21 CEST 2009


Hi all users,

I need to add some dummy atoms in my case. I know that I need to include the section [virtual_sites] in the top file but I am not sure how to define them in the itp file .Do I need to list these atoms in the section[atoms] ? Can anyone of you give me some suggestions about that?

Thank you in advance.

Yang



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