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 <ya...@ymail.com>
To: "gmx-users@gromacs.org" <gmx-users@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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