Re: CCL:W:gOpenMol and Gamess MO plotting
- From: "Fco. Javier Modrego"
- Subject: Re: CCL:W:gOpenMol and Gamess MO plotting
- Date: Mon, 6 Jun 2005 10:19:15 +0200
At 01:11 -0400 3/6/05, Gustavo, , Mercier wrote:
I am interested in plotting MO's computed using GAMESS-US. I've
tried several programs with limited succes (molden, molekel,
orbdraw) and now I am trying gOpenMol.
Looking at the manual etc I need to generate a cube file that will
be converted to the plt format read by gOpenMol using a plugin.
However, it is not clear to me how to generate the cube file using
Look at the keyword PLTORB in the $CONTRL section of the Gamess'
manual, then as stated in the gOpenMol pages, use Gamess2plt to
convert a Gamess "cube" PUNCH file to a plt file. Otherwise
can use a Mac , the program MacMolPlt is the easiest way of doing
what you need.
I hope this can help you,
Dr. F.J. Modrego
Department of Inorganic Chemistry
Facultad de Ciencias
University of Zaragoza