Sorry.
Disregard my previous message. I was using edited file with missing atoms...
Best.
Petro
On Tue, Feb 4, 2020 at 1:47 PM Petro <subscribe.khoroshyy.net> wrote:
> Hi list.
> I am running pdb4amber on 6QQA.pdb.
> It has a CRF chromophore.
> For some reason it strips down these atoms.
> Any idea why?
>
> HETATM 519 CG1ACRF A 66 25.913 27.083 34.906 0.85 19.78 C
> HETATM 520 CG1BCRF A 66 24.454 25.596 34.719 0.15 7.52 C
> HETATM 533 CG2 CRF A 66 29.207 28.997 38.508 1.00 19.73 C
>
> I agree with removing one of CG1, but I have realized after tuning tleap
> that all CG atoms are stripped in CRF.
> Thanks.
> Petro
>
>
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Received on Tue Feb 04 2020 - 05:00:03 PST
