[gmx-users] Script for coverting ITP and gro file to Autodock pdbqs

raja raja_28 at fastmail.us
Mon Nov 27 15:09:21 CET 2006

Hi gmxions,
I want to use charge information contained in itp file produced in
gromacs for docking purpose (Autodock). Kindly share a script if anyone
written to convert information content from gromacs protein's itp (for
charge) and gro (coordinate) information to autodock pdbqs or pdbq
formated one.

With thanks !

  raja_28 at fastmail.us

http://www.fastmail.fm - mmm... Fastmail...

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