[gmx-users] QM/MM calculation

Mahnam mahnam at ibb.ut.ac.ir
Mon Feb 20 10:11:13 CET 2006

In the name of God
Hello gmx-users
I want to do QM/MM calculation with Gromacs .when I do QM/MM calculation 
according to QM/MM tutorial (www.Gromacs\QM\QM-MM tutorial.htm),it says : 
"atomtype LA and XX not found" and when I change LA and XX to DUM ,it says :
 "No default Connect Bonds types" , it seems that Gromacs dont recognize QM 
groups. Would you please tell me how can I do this task?.
Thank you very much in advance
Institute of  Biochemistry  and  Biophysics (IBB)
Tehran University 
P.O.box 1417614411
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