[gmx-users] toluene as a slovent

[Iman Katouzian]

Hello,

I have downloaded the toluene pdb file and want to use it as solvent in
GROMACS rather than the water molecules. I have added toluene as a molecule
using gmx solvate -cs toluene.gro however, in the next steps, it is not
added to the topol.top file and I cannot go-ahead to the next steps of
simulation. I'd be grateful if someone can help me with this issue as I
have not tried other solvents rather than water before.

Thanks.

On Sun, Dec 1, 2019 at 4:04 PM Iman Katouzian <imaneternity at gmail.com>
wrote:

> Hello,
>
> I have downloaded the toluene pdb file and want to use it as solvent in
> GROMACS rather than the water molecules. I have added toluene as a molecule
> using gmx solvate -cs toluene.gro however, in the next steps, it is not
> added to the topol.top file and I cannot go-ahead to the next steps of
> simulation. I'd be grateful if someone can help me with this issue as I
> have not tried other solvents rather than water before.
>
> Thanks.
>
> --
>
> *Iman Katouzian*
>
> *Ph.D.** candidate of Food Process Engineering*
>
> *Faculty of Food Science and Technology*
>
> *University of Agricultural Sciences and Natural Resources, Gorgan, Iran*
>


-- 

*Iman Katouzian*

*Ph.D.** candidate of Food Process Engineering*

*Faculty of Food Science and Technology*

*University of Agricultural Sciences and Natural Resources, Gorgan, Iran*