[gmx-users] Virtual sites setting

[라지브간디]

Dear gmx,

I would like to set virtual sites for CO molecules with some specific charge. 

As per GROMACS manual, I've created virtual site2 in topology file for CO. Also, given the information in .rtp file as well as added the COM(center of mass) atom in .gro file. However, when I use gromp, it shows COM not found. 

Please need an advice. Thanks. 

Rajiv