[gmx-users] Editing index.ndx, Ener. Groups and rerun

Alan Wilter Sousa da Silva alan at biof.ufrj.br
Thu Oct 17 18:58:27 CEST 2002

Hi List!

	I have system divided in 4 groups (for temperature and energy):
protein, ligand, water and ion.  I created a 5th new group protein+ligand
and defined it in my energy-groups at *.mdp file.  However, when I try to
run grompp I got a error:

Fatal error: Atom 0 in multiple Energy Mon. groups (16 and 0)

0 for group System and 16 for group PR_LIG

Cannot I monitor such group?  Any help would be very welcome.


Alan Wilter S. da Silva
 Laboratório de Física Biológica
  Instituto de Biofísica Carlos Chagas Filho
   Universidade do Brasil/UFRJ
    Rio de Janeiro, Brasil

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