[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?
Cheers,
-----------------------
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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