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

[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 some suggestions about that?


Define them in the atoms section and list them as dummies in the dummie
section. Check the manual for detail.

Jochen


> 
> Thank you in advance.
> 
> Yang
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-- 
************************************************
Dr. Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
Tel.: +49 (0)551 201-2312
************************************************