|The Molecular Graphics Laboratory Forum
|Too many atoms in receptor PDBQT file
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|Author:||amanan00 [ Wed Aug 03, 2016 5:32 pm ]|
|Post subject:||Too many atoms in receptor PDBQT file|
Does the receptor need to be less than 32768 atoms in order to use autodock tools?
My job gave following error:
autogrid4: ERROR: Too many atoms in receptor PDBQT file gdpx_test.pdbqt;
autogrid4: ERROR: -- the maximum number of atoms, AG_MAX_ATOMS, allowed is 32768.
autogrid4: ERROR: Sorry, AutoGrid cannot continue.
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