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

[Nguyen Hoang Phuong]

Hi Gerrit,

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

Regards,

Phuong


> 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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