[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 1002, procedure domldt.
Attempt to access the 161-th element of variable labels.
Aborted

---------------------
Has anyone met this before?

Thanks,

yao 






----- Forwarded Message -----
From: Yao Yao <yao0o at ymail.com>
To: "gmx-users at gromacs.org" <gmx-users at gromacs.org>
Sent: Tuesday, September 13, 2011 12:14 AM
Subject: [gmx-users] QM/MM/MD Semi-empirical Error







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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