From: Vishal Kopardé (vnk_sim_at_yahoo.co.uk)
Date: Wed Oct 25 2006 - 06:59:18 CDT
Does anyone have any idea what this error is and how to get rid of it?
ERROR: Constraint failure in RATTLE algorithm for atom 2487!
ERROR: Constraint failure; simulation has become unstable.
ERROR: Exiting prematurely.
I am trying to minimize and equilibrate my system with a protein
hexamer in water. Minimization goes fine but equilibration spits out
this error on the first step.
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