Article ID: 1752 - Last Modified: November 9, 2012
My Glide job failed with the following error message and a memory access error. Is there a fix to this problem?
OOPS 5: ipose = parentpose( 5001 ) = 5001 , iscreen = 1
OOPS: ligrunsp before call convertcluopt1: ipose= 5001
OOPS: ligrunsp before call convertcluopt1: ipose= 5001
This error can happen when you use expanded sampling with constraints. Expanded sampling was primarily intended for docking of fragments, to ensure that they were not filtered out prematurely. There are several ways of working around this problem:
- Turn off expanded sampling in the Settings - Advanced Settings dialog box. Expanded sampling is usually not necessary for ligand docking. You can use the number of initial poses and energy window to increase the sampling instead, if more sampling is important.
- Apply constraints after docking rather than during docking, by selecting Test constraint satisfaction only after docking in the Constraints tab.
- Reduce the number of ways that constraints can be satisfied by requiring more of the constraints (allowing fewer optional constraints).
If you need additional help, please email us at help@schrodinger.com.
Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles

