Merz Kollman charges calculated with G98
Dear CCler's
I hope you don't mind me asking this question.
I have calculated the MK charges ona trnaistion metal system and am looking for
ways to visulise
them and in th eend produce pretty pictures. The programs I have available in
the moment are
Molden, molekel and gOpenmol and only gOpenmol seems to be able to do so.
However, I did not get
the latter to work.
If somebody out there has any good tips I would be most grateful to hear of
them.
Meike Reinhold
P.S. My problem with gOpenmol which is only installed on my PC (Windows NT4.0)
is that after I
have inported the formated checkpoint file (created with Formcheck=all) and the
imported the in
the charges from the log file nothing seems to change. So maybe I am missing
something here?
=====
Meike Reinhold
Chemistry Department
University of York
UK
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