A Glide 5.5 XP fragment docking job dies with the log file error

%IMPACT-E: Insufficient storage for pointers. pointer set at 1501

What does this mean?

This error usually indicates a memory leak in the program that occurs when docking small ligands, such as in a Glide XP fragments job. This problem has been fixed in Suite 2010.

The workaround is to run fewer ligands in each (sub)job. so we suggest splitting your Glide XP fragments job into multiple subjobs, to keep the subjob size under, say, 200 structures. You can split a Glide job into multiple subjobs even if you still want to use a single processor/core; the number of subjobs and the number of cpus are set independently in the Start dialog in Maestro (or via the -NJOBS and -HOST options on the command line).

Keywords: docking, XP, fragments, insufficient storage, pointers, Glide

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