CCL: Iinduced Fit Docking with Prime and Glide

 Sent to CCL by: "Nicola Giacche'" [nicolag]*[]
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 Jean-Christophe Poully ha scritto:
 Sent to CCL by: Jean-Christophe Poully []
 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
 Bureau B002
-=his is automatically added to each message by the mailing script =->;
 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