[gmx-users] QM/MM/MD Semi-empirical Error

[Yao Yao]

Hi Guys,

I met a problem when I ran QM/MM/MD using semi-empirical method in gmx407+mopac7,


-------------------------------------------------------------
"Subscript out of range on file line 659, procedure moldat.
Attempt to access the 0-th element of variable eheat.
Aborted"
--------------------------------------------------------------

I googled it, but there seems no archived info online. Has anyone met this before?

Thanks,

Yao Yao





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