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From: RICARDO VAZQUEZ (ricardo1v_at_yahoo.com)
Date: Wed May 11 2011 - 22:04:04 CDT
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Hi,
I trye to simulate the binding of an peptide to protein with NAMD 2.7. The equilibration calculation starting well but abort in the same point for different molecular systems, What could be the problem, my molecular system (config file, wrong topology, etc:)or a need some library in my computer?Thank you in advance,Ricardo Vazquez,UNAM, Mexico City.
The message when abort the calculation is:
Info: Changed directory to /Users/eon/NAMD_2.7_MacOSX-x86/TOPPARInfo: Configuration file is top_all27_prot_lipid.inpTCL: wrong # argsFATAL ERROR: wrong # args while executing"*>>>>>> Combined CHARMM All-Hydrogen Topology File for <<<<<<<<<" (file "top_all27_prot_lipid.inp" line 1)------------- Processor 0 Exiting: Called CmiAbort ------------Reason: FATAL ERROR: wrong # args while executing"*>>>>>> Combined CHARMM All-Hydrogen Topology File for <<<<<<<<<" (file "top_all27_prot_lipid.inp" line 1)
Charm++ fatal error:FATAL ERROR: wrong # args while executing"*>>>>>> Combined CHARMM All-Hydrogen Topology File for <<<<<<<<<" (file "top_all27_prot_lipid.inp" line 1)
Abort trap
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