20 June 2021 0 191 Report

I am trying to run docking with a ligand containing Boron atom. It ended up in error after running autogrid in CYGWIN. See the error message below (in bold fonts). I am using parameter file to include Boron but no success.

C:\cygwin64\bin\autogrid4.exe: FATAL ERROR: C:\cygwin64\bin\autogrid4.exe: ERROR: the unbound model cannot be specified in the parameter library file.

Use the DPF parameter 'unbound_model' instead.

C:\cygwin64\bin\autogrid4.exe: Unsuccessful Completion.

I am attaching the .dpf and .gpf file here for the reference

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