[gmx-users] ligand binding

Meenakshi Rajput ashi.rajput39 at gmail.com
Thu Aug 7 16:47:20 CEST 2014

Thank you Justin. Please tell me if emtol should be 1000 or 100 for albumin
protein complex? As for emtol=1000, complex(mentioned in the tutorial) is
converged in some steps and graph plotted for potential energy shows sudden
downfall. Please tell me what is the reason behind this?

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