When I did MD calculations, the running is abnormal termination as:
bond charge predicted
REAL_OPTLAY: internal error (1) 508745 511980
I don't know how to deal with it ?Is there some wrong with my input files?
Any suggestions will be appreciated.
The problem in MD calculation
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fegg7502
The problem in MD calculation
Last edited by fegg7502 on Thu Oct 23, 2008 1:50 am, edited 1 time in total.
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The problem in MD calculation
please check if you system ran into an unreasonable geometry during the MD
Last edited by admin on Thu Oct 23, 2008 10:23 am, edited 1 time in total.