CCL:G: Frozen Cartesian Coordinates in Gaussian



 Sent to CCL by: "Dipankar Roy" [dipankarroy-x-iitb.ac.in]
 Hi,
  at the end of input file put the following
 atom1(atom no.) atom2 atom3 atom4 F
 hope that will work
 -dipankar
 > Sent to CCL by: "Laura Lynn Parker" [laura-parker(-)uiowa.edu]
 > I would like to run an optimization in Gaussian while freezing several of
 > the atoms' cartesian
 > coordinates.  I tried several styles of input according to the manual, and
 > I either get error messages,
 > or I get an optimization where the cartesian coordinates are deffinatly
 > not frozen.  (i.e. If I freeze 4
 > atoms in a larger system and use the first 3 to reorient the starting and
 > final geometry to the same
 > coordinate system, the 4th atom is not in the same place.)  My question is
 > if anyone has
 > successfully frozen cartesian coordinates in Gaussian, and if so, I would
 > really appriciate an
 > example input deck to work from.>
 >
 >
 >
 ***********************************************
    Dipankar Roy
    Graduate Student of Prof. R. B. Sunoj
    Computational Chemistry Laboratoty
    Dept. of Chemistry
    Indian Institute of Technology, Bombay
    India - 400076
    Phone: +91-22-2576-4130(lab)
 ***********************************************
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