[gmx-users] Cartesian coordinates-->internal coordinates

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Thu Sep 12 11:58:28 CEST 2002

Hi Gerrit,

thank you for your suggestion. However I would like to do the convertion
for every saved configurations in the trajectory.  



> Hi Phuong,
> > does anyone have the program to convert the Cartesian coordinates to the
> > internal coordinates for a molecule? I would be grateful for any
> > help.
> You can try to use molden. It is a z-matrix manipulation program. You can get it at
> http://www.cmbi.kun.nl/~schaft/molden/molden.html
> Good luck,
> Gerrit
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