[gmx-users] mdrun -rerun

Alan Wilter Sousa da Silva alan at biof.ufrj.br
Wed Jun 19 19:17:56 CEST 2002

Hi List!

	I'm wondering about -rerun option.
	I did a long simulation but I didn't specify energy groups (whole
system taken).  To correct this without rerunning all again, I'm thinking
(after GMX Manual) about creating energy groups in the mdp file, then run
grompp and afterwards 'mdrun -rerun' over the previous xtc file.  Should
that work?

	Many thanks in advance,

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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