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

[Gerrit Groenhof]

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