[gmx-users] flexspce.itp vs flexspc.itp

Alan Wilter Sousa da Silva alan at biof.ufrj.br
Thu Feb 13 13:18:20 CET 2003

Hi List!

	In our Lab we are more familiar to spce water model.
	Now, doing optimisations, I observed that flexspce.itp didn't seem
complete as flexspc.itp.  Moreover, I got errors with the identification
of OW1 in former, which had to be renamed to OW.
	Since differences between them are only charges, I'm thinking
about if would it be better copying flexspc.itp a flexspce.itp and
changing charges for the latter, wouldn't it?


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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