Converting between different formats using lpmd and openbabel.
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Files contained

* multiconfig.lpmd  : File with multiple lpmd configurations.
                      This file have different number of atoms, 
                      cell vectors, and forces.

* multiconfig.xyz   : File with multiple xyz configurations.
* error-config.lpmd : File with a wrong atomic specification line in lpmd file.
* singleconfig.lpmd : File with a single configuration file in lpmd format
* singleconfig.pdb  : A single configuration pdb file.
* error-header.lpmd : File lpmd with a wrong header.


using openbabel
===============

* Converting multiconfig lpmd file to other format using openbabel :

** Writing to output.xyz
   obabel -ilpmd multiconfig.lpmd -Ooutput.xyz
** Writing to standard output
   obabel -ilpmd multiconfig.lpmd -oxyz -xn

* Converting single config pdb file to lpmd format :

** Writing to output.lpmd
   obabel -ipdb singleconfig.pdb -Ooutput.lpmd

* Converting multiconfig xyz to lpmd file format :

** Writing to output.lpmd file
   obabel -ilpmd multiconfig.xyz -Ooutput.lpmd

* Writing between lpmd formats 

** From a file with velocities and forces (multiconfig.lpmd) to velocities and acceleration
   obabel -ilpmd multiconfig.lpmd -Ooutput.lpmd -xf 2 -xm 0
** Adding charge column
   obabel -ilpmd multiconfig.lpmd -Oooutput.lpmd -xf 2 -xm 0 -e 1


