[gmx-users] charge groups

[parinald at unsl.edu.ar]

Hi gmx´ers :
                                               O
my non-protein molécule:            (Phi)    /   \      (Psi)
                                          AGP      BGP

have a converted topology (g96  to  gmx),  and when I run grompp  appears
the following error message:

Fatal Error:  atoms 22 and 25 of the charge group 6 are in different
energy_groups.

My question is;  if  I define the charge groups as energy_groups in 
***.mdp file  (and index file), will affect the analysis with g_rama, for
example?.

                                                                                                     Thank
you.