[gmx-users] including a new molecule to forcefield

Amir Abbasi amir.abbasi69 at yahoo.com
Sun May 5 02:28:39 CEST 2013

Hi All,
I want to simulate graphene oxide in water. i have used swissparam server to create .itp file of it.
then i'd put the .itp file in oplsaa.ff folder and edit forcefield.itp file and insert:
#include "GRO.itp"
but when i want to use pdb2gmx to make topology file,it says:
Residue 'GRO' not found in residue topology database

what should i do?
any suggestions will be apprecited

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