MaxIT Classic Bedienungsanleitung PDF herunterladen (Seite 14)

Ok, now if your calculation is finished you can open output file with MacMolPlt.

With the scrollbar at bottom you can see all optimization steps.

For every step you can see bond length etc. in the coordinates window.

You can choose between cartesian and z-matrix form. If you want, you can now add or

delete atoms there and create with input bilder a new input file.

If you use z-matrix format in input file you have to add COORD=ZMT in $CONTRL grp.

How to use MacMolPlt

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MaxIT Classic Bedienungsanleitung Seite 14