[gmx-users] Response required

[Mark Abraham]

Hi,

I suggest you explore the LigParGen software for its documentation and help
fora. This one is particular to GROMACS.

Mark

On Fri, Dec 28, 2018 at 3:50 PM <molashahimaryam at aut.ac.ir> wrote:

>
> Hi everyone
>
> When I submit  a PEO chain consists of 23 monomers to LigParGen
> web-based service to make a topology file, there is no problem. But when I
> submit a PEO chain consists of 100 monomers I give an error:
>  * Found residue ligand OXY
>  * Unknown error. Please, check the input file. If you are not able to
> find the error, we suggests to use the SMILE code.
>  * How should I do?
>  *
> Regards
>
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