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