The problem in MD calculation
Posted: Thu Oct 23, 2008 1:50 am
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.
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.