CCL: Iinduced Fit Docking with Prime and Glide

["Nicola Giacche'" <nicolag!=!chimfarm.unipg.it>]

 Sent to CCL by: "Nicola Giacche'" [nicolag]*[chimfarm.unipg.it]
 directly you can ask to help(at)schrodinger.com to have the correct answer.
 bye
 Jean-Christophe Poully poully%a%galilee.univ-paris13.fr ha scritto:
>  Sent to CCL by: Jean-Christophe Poully [poully..galilee.univ-paris13.fr]
>  Dear CCLrs,
> I am a newbie using the Induced Fit Docking softwares from
>  Schrödinger, Prime and Glide, and I am trying to dock a small
>  ligand
>  to Beta Amyloid. The protein preparation, Glide first docking and
>  determination of residues for refinement steps succeeded but
>  unfortunately the Prime active site refinement failed and I found in
>  the log file that all the jobs died because the "SEQ_FILE
>  option" was
>  not specified. I have no idea of what happened, if somebody has a clue
>  it would be really great! Thank you very much by advance...
>  Best regards,
>  Jean-Christophe Poully
>  Doctorant dans l'équipe AMIBES
>  Laboratoire de Physique des Lasers
>  Institut Galilée
>  99, avenue JB Clément
>  93430 VILLETANEUSE
>  Bureau B002
>  0149403853
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>  =-http://www.ccl.net/chemistry/sub_unsub.shtmlConferences:
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 --
 Nicola Giacchè,
 PhD Student
 Bachelor Degree in Medicinal Chemistry and Technology of Drugs
 University of Perugia
 Department of Medicinal Chemistry and Technology of Drugs
 Via del Liceo, 1 - 06123 Perugia (Italy)
 Tel ++39 075 585 5169/5156
 E-mail: nicolag---chimfarm.unipg.it