[gmx-users] atomtype OW is not found

Rahma Dahmani rahma.dahmani at fst.utm.tn
Wed Nov 7 15:48:22 CET 2018

Hi Gromacs users,
I used antechamber tools to genrate a topology and coordinates files for my
ligand, then i used acpype to convert them to gromacs files (.top and
.gro), then *i added manually water FF in topology file* since i want to
run MD simulation of ligand in water ....
I double checked the notation of water molecule (OW and HW) in gro file
....but i always get this error  """ *atomtype OW is not found* """"
here I copy paste a part of my topology file where i include water FF

; Include water topology
#include "amber99sb-ildn.ff/tip3p.itp"
; Position restraint for each water oxygen
[ position_restraints ]
;  i funct       fcx        fcy        fcz
   1    1       1000       1000       1000

Can anyone 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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