[Dock-fans] Amber/dock run "dock6 -i dock.in" err!

li bai javacfish at yahoo.com.cn
Thu Mar 12 07:34:07 PDT 2009


Dear all, 

I study the Amber/dock from the website "http://dock.compbio.ucsf.edu/DOCK_6/tutorials/amber_score/amber_score.htm"

But when I use the "dock6 -i dock.in", the wrong come on:
"
Computing the receptor energy:
    mm_options:  diel=C
    mm_options:  gbsa=0
    mm_options:  nsnb=99999
    mm_options:  cut=18.0
    mm_options:  gb=5
    mm_options:  ntpr=1
    mm_options:  cut=999.0
    mm_options:  gbsa=1
ff:   1  -4584.94   1790.38   1133.44  -5336.92     44.47  -2216.31  4.07e+01
lig.1
Reading parm file (1lgu.lig.1.prmtop)
title:
                                                                                
getpdb: can't open file lig.1.amber.pdb
"
what is wrong ? Who can help me?

Thank you !
javacfish



      
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