<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Dear sir/Madam thanks in Advance <br> i wanted to do QM/MM for simple peptide .i have edited my topology files as given in the manual i also include the Link atom(LA) under [DUMMIES2] secction of my topology .but when i run the following grompp command <br>./grompp_d -f em.mdp -c spep_b4em.gro -p spep.top -o spep_em.tpr <br><span style="font-weight: bold;">I got the error as follows</span><br style="font-weight: bold;"><span style="font-weight: bold;">Back Off! I just backed up mdout.mdp to ./#mdout.mdp.29#</span><br style="font-weight: bold;"><span style="font-weight: bold;">checking input for internal consistency...</span><br style="font-weight: bold;"><span style="font-weight: bold;">processing
topology...</span><br style="font-weight: bold;"><span style="font-weight: bold;">Opening library file /usr/local/gromacs/share/gromacs/top/ffG53a6.itp</span><br style="font-weight: bold;"><span style="font-weight: bold;">Opening library file /usr/local/gromacs/share/gromacs/top/ffG53a6nb.itp</span><br style="font-weight: bold;"><br style="font-weight: bold;"><span style="font-weight: bold;">-------------------------------------------------------</span><br style="font-weight: bold;"><span style="font-weight: bold;">Program grompp_d, VERSION 4.0.7</span><br style="font-weight: bold;"><span style="font-weight: bold;">Source code file: topdirs.c, line: 99</span><br style="font-weight: bold;"><br style="font-weight: bold;"><span style="font-weight: bold;">Fatal error:</span><br style="font-weight: bold;"><span style="font-weight: bold;">Invalid pairs type 0</span><br>-------------------------------------------------------<br>the suggestions are highly
appericiated<br><br></td></tr></table><br>