Hello sir,
Herein the input file
Thank you
On Mon, Jun 7, 2021 at 2:27 PM Gustaf Olsson <gustaf.olsson.lnu.se> wrote:
> You will most likely get a better response from someone who has experience
> using MCPB, however it seems that “HZ3” would be a hydrogen atom label?
>
> A quick guess would be that either it is located in an “bad” place or is
> not implemented for use with MCPB.
>
> Just based on these guesses, do you have a HZ3 atom in your input PDB
> file? Is everything lined up properly in the input structure file?
>
> Best regards
> // Gustaf
>
>
> On 7 Jun 2021, at 14:03, sabrine kh <sabrine.khelifa.gmail.com<mailto:
> sabrine.khelifa.gmail.com>> wrote:
>
> HZ3
>
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Received on Mon Jun 07 2021 - 09:00:02 PDT
