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

[Justin Lemkul]

On 11/8/18 5:20 AM, Rahma Dahmani wrote:
> 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
> commands:
> ; Include water topology
> #include "tip3p.itp"
> But i always get this error
> Topology include file "tip3p.itp" not found

If you #include a file without a path, grompp looks in the working 
directory or any directory specified by "include" in the .mdp file.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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