Hi Jaime. Thanks a lot for your file. I tried it but I get the same result.
Do you recommend split the molecule?
Regards.
2014-04-22 3:33 GMT-05:00 JAIME RUBIO MARTINEZ <jaime.rubio.ub.edu>:
> Try with this geometry.
> jaime
> ________________________________________
> De: Carlos Romero [carlos.rom.74he.gmail.com]
> Enviado: martes, 22 de abril de 2014 6:51
> Para: AMBER Mailing List
> Asunto: [AMBER] antechamber problem
>
> Hi Dear AMBER users:
>
> I try to create inpcrd and prmtop files for sylibinin, I followed steps in
> tutorial number 4. I have checked many times my bonds, atom type, and I
> think everything is ok (I send such file). I have many days trying it,
> even I summit to RED server. without good results. I have executed in my
> computer RED -III.5I tools without results.
>
>
> If I use antechamber appears next message:
>
> cannot run "/home/carlos/amber11/bin/sqm -O -i sqm.in -o sqm.out" of bcc()
> in charge.c properly, exit
>
> If I run perl RED-vIII.pl appears next message:
>
> SCF not converged, try another geometry.
>
> I will thanks if you can help me
>
> Regards
>
>
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Received on Tue Apr 22 2014 - 10:30:02 PDT
