[gmx-users] reg error in QM/MM topology

vidhya sankar scvsankar_agr at yahoo.com
Mon Sep 20 10:25:01 CEST 2010

Dear Mark Abraham sir,  thank you for your reply
                                                                                 i have edited my .top files in gromacs as u said when i run the ./grompp it shows the error as follows 
./grompp_d  -f em.mdp -c spep_b4em.gro -p spep.top -o spep_em.tpr

ignoring obsolete mdp entry 'cpp'

Back Off! I just backed up mdout.mdp to ./#mdout.mdp.4#
checking input for internal consistency...
processing topology...
Opening library file /usr/local/gromacs/share/gromacs/top/ffG53a6.itp
Opening library file /usr/local/gromacs/share/gromacs/top/ffG53a6nb.itp
Opening library file /usr/local/gromacs/share/gromacs/top/ffG53a6bon.itp
Opening library file /usr/local/gromacs/share/gromacs/top/ff_dum.itp
Generated 222 of the 1653 non-bonded parameter combinations
Program grompp_d, VERSION 4.0.7
Source code file: toppush.c, line: 1379

Fatal error:
Incorrect number of parameters - found 2, expected 0 or 0 for Connect Bonds
what could i do to avod error?  i am expecting your valuable reply

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