[gmx-users] Defining new atom in forcefield

Hadi Rahmaninejad ha.rahmaani at gmail.com
Mon Mar 18 15:58:24 CET 2019

Hello Dear Gromacs Users,

I am doing a simulation in silica structure containig Si and O atoms with
special VDW and charge parameters. My purpose is to separate each Si and O
and consider each of them as one residue, so I don't need to worry about
"Bonded" parameters, only need to define new atoms in force field. What is
the easiest method for that? Do I need to just add new atoms in existing
".atp" or I need also modify ".rtp" file? I highly appreciate your help,

Thank you in advance,

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