When using the tclBCScript interface of namd for imposing additional forces on a classical molecular dynamics simulation, you may get the (undocumented) error message ------------- Processor 0 Exiting: Called CmiAbort ------------ Reason: FATAL ERROR: tclBCScript failed to call nextatom until failure Charm++ fatal error: FATAL ERROR: tclBCScript failed to call […]
TCL
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