ADL: BLIND DOCKING_grid problem
zhaojunwei2004 at 126.com
Thu Mar 6 01:07:45 PST 2008
I think you can change the grid points in your .gpf file directly.
receptor *.pdbqs # macromolecule
gridfld *.maps.fld # grid_data_file
npts 100 100 100 # num.grid points in xyz
spacing 0.375 # spacing(A)
Hope it helps.
在2008-03-06，"Richa Batra" <richa.batra at gmail.com> 写道：
I am trying blind docking. When i visualize the grid it covers my whole
protein. According to the calculations if i set 100 points in each axis it
should be covering my entire protein.However in .glg file what i find is a
smaller grid is formed everytime. Please help me.
Ms Richa Batra
Universtiy of Pune,
Pune, MHT, India.
Alt. Id: batra.richa at yahoo.com
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