[gmx-users] Protein ligand simulation

[Najamuddin Memon]

you should follow steps from protein-Ligand simulation. Write in google "
www.bevanlab.biochem.vt.edu › justin › gmx-tutorials › complex_old
<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/complex_old/index.html>".
Take coordinates of JZ4 from PRODRG.
<https://www.google.com/search?q=protein+ligand+simulation&oq=protein+ligand+simulation&aqs=chrome..69i57j0l4j69i61.5689j0j7&sourceid=chrome&ie=UTF-8#>

   1.
   <http://webcache.googleusercontent.com/search?q=cache:ZYiGlPYdIhgJ:www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/complex_old/index.html+&cd=2&hl=en&ct=clnk&gl=pk>



On Tue, Oct 1, 2019 at 12:39 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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