Hi all,
I have been running alot of simulations on protein ligand interactions, and my settings/setup/mdp files worked great for one system. Then when we moved to a larger and more complicated system we started getting mdrun segmentation faults during "steep" energy minimization. This happens on our cluster and on our iMacs.
Any help would be appreciated. Also I can attach my mdp files.
Thank you
TJ Mustard
Email: [email protected]
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