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

2009-03-31 Thread Jochen Hub
He, Yang wrote: > 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 so

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

2009-03-30 Thread He, Yang
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?