[gmx-users] Protein ligand simulation

[Najamuddin Memon]

First of all take coordinates of ligand  from online available resources
mentioned in protocol of protein ligand simulation and exactly follow the
same you will get simulation run

Regards
Najam

On Sat, Sep 28, 2019, 2:38 PM DEEPANSHU SINGLA <deepanshusingla99 at gmail.com>
wrote:

> I am trying to learn protein ligand simulation. I tried to follow the steps
> for lysozyme using the GROMACS tutorial. I received the following error:
>
> *ERROR 1 {file jz4.itp, line 183]:*
> * No default Proper Dih. types*
>
>
> *ERROR 2 [file jz4.itp, line 194]:*
> * No default Proper Dih. types*
>
> *Fatal error: *
> *Syntax error -File forcefield.itp, line 10*
> *Last line resd:*
> *'{defaults]'*
> *Invalid order for directive defaults*
>
> Please help me resolve this error.
>
> Thanking you in advance.
>
> Deepanshu Singla
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