[gmx-users] xyz to gdb

Dongsheng Zhang dong at pampas.chem.purdue.edu
Tue Jun 27 00:24:49 CEST 2006

Hello, Jason,

You can download babel program and use babel -ixyz old.xyz -opdb new.pdb
to get a pdb file, then you can use gromacs now.


On Mon, 2006-06-26 at 15:00 -0700, Jason Byrd wrote:
> Hello, 
> I amd working with using the Siesta program in conjunction with
> gromacs, and I need to be able to read quasi xyz (quasi as in first
> collumn is atom type, the next 3 are xyz coordinates) coordinates into
> gromacs as either a gdb or gro file.  Has any one else attepted this
> successfully? 
> thanks for your feedback
> jason
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