subject:"\[gmx\-users\] QM\/MM\/MD Semi\-empirical Error"

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

2011-09-13 Thread Yao Yao

, yao - Forwarded Message - From: Yao Yao To: "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 gmx

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

2011-09-13 Thread 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" --