An easy way would be to convert the prmtop and rst to a pdb using ambpdb.
Then read the numbers inside be pdb.
On Thu, Jun 28, 2018, 12:03 PM Baptiste Legrand <bap.legrand.gmail.com>
wrote:
> Dear all,
>
> When I launched calculations on pseudopeptides incorporating non-natural
> residues, I had chirality issues. So I would try to fix it using the
> chirality restraints on my non-standard residues. I first modified the
> makeCHIR_RST file to incorporate these latter and to simply use the
> makeCHIR_RST command but it still ignore them.
>
> So, alternatively, I could manually write the chirality restraints in my
> *.dist file. Is there a simple way to know the numbering corresponding
> to each atoms of my molecules?
>
> Thanks,
>
> Best regards,
>
> Baptiste
>
>
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Received on Thu Jun 28 2018 - 09:30:02 PDT
