[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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