[Dock-fans] inquiry about DOCK

=?gb2312?B?wO72qb79?= wenjunli at hqu.edu.cn
Fri Oct 6 05:58:04 PDT 2006


Dear Sir:
  Recently, I met some difficiculties when running dock6.exe. After I input
d:/dock6/bin/dock6 -i anchor_and_grow.in the cygwin would appear reading the
energy grid from grid.nrg and one hour later there were no docking resaults
output, such as Grid Score, vdw and es. I felt hard to figure out the problem and
need your help.If necessary I will mail my grid.nrg and other files to you. My
ligand is ATP and receptor is glycerol dehydratase reactivase (PDBcode:1NBW).They
both have been added charge and hydrogen.Hoping for your constructive advice.Thank
you!
                                                    your sincerely
                                                       Wenjunli




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