求助QwikMD-Orca 计算QM/MM 出错

hhhnano

我在用QwiKMD-Mopac计算QM/MM时，可以正常计算，但是用QwikMD-Orca计算时却出现下面问题，无法启动计算，特请教各位高手，非常感谢！
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Info)    Angles: 21589  Dihedrals: 13889  Impropers: 911  Cross-terms: 335Info)    Bondtypes: 0  Angletypes: 0  Dihedraltypes: 0  Impropertypes: 0Info)    Residues: 12483Info)    Waters: 12076
Info)    Segments: 11Info)    Fragments: 12147   Protein: 1   Nucleic: 0
Info) Using plugin pdb for coordinates from file NF216-qmmm_QwikMD.pdb
Info) Finished with coordinate file NF216-qmmm_QwikMD.pdb.Info) In any publication of scientific results based in part or
Info) completely on the use of the program STRIDE, please reference:Info)  Frishman,D & Argos,P. (1995) Knowledge-based secondary structure
Info)  assignment. Proteins: structure, function and genetics, 23, 566-579.ERROR)
Unable to ascertain relative endianness of remote machineERROR)
Unable to ascertain relative endianness of remote machineERROR)
Unable to ascertain relative endianness of remote machineERROR)
Unable to ascertain relative endianness of remote machineERROR)
Unable to ascertain relative endianness of remote machineERROR)
Unable to ascertain relative endianness of remote machine