[gmx-users] [gmx-user] coordinates mismatch error

Quin K profiles.ke at gmail.com
Tue Dec 31 15:44:10 CET 2019


Could it be due to protein-ligand complex being at the edge of the box?
https://drive.google.com/file/d/187fPACfq1QybNJxkyJKB8faUPOBRFccK/view?usp=sharing



On Tue, Dec 31, 2019 at 8:06 PM Quin K <profiles.ke at gmail.com> wrote:

> Hi
>
> I continue to get following error during complex MD
>
>
>
> *number of coordinates in coordinate file (solv.gro, 50670)does not match
> topology (topol.top, 50701)*
> I don't understand why there's a mismatch.
> I followed the instructions in mdtutorials.com for Gromacs ligand-protien
> complex.
>
> How can I rectify this?
>
> Regards
>
>


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