[gmx-users] Topology include file "tip3p.itp" not found

Rahma Dahmani rahma.dahmani at fst.utm.tn
Thu Nov 8 11:20:18 CET 2018

Dear Gromacs Users,

I want to run MD simulation of ligand in water box , for that i have
manually constructed a topology file of my ligand with antechamber tools
then i used GROMACS instructions to build a box of water molecules
(ligand_solv.gro), when i tried to minimize my structure (with grompp) i
get this error
""" *atomtype OW is not found* """"
then i create manually tip3p.itp file (which contains tip3p parameters) to
identify the water atom types and i added in my topology file the following
; Include water topology
#include "tip3p.itp"
But i always get this error
Topology include file "tip3p.itp" not found

Can you help me please,
Thank you !


*Rahma Dahmani Doctorante en CHIMIE Unité de Recherche: Physico-Chimie des
Matériaux à l'état condensé, Laboratoire de Chimie Théorique et
Spectroscopie MoléculaireUniversité de Tunis El Manar, Faculté des Sciences
de Tunis Campus Universitaire Farhat Hached - BP n ° 94 - Rommana 1068,
Tunisie Tél: (+216) 28151042*

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