[gmx-users] is there a possibility to convert .gro files directly to PDB?
Mark.Abraham at anu.edu.au
Wed Mar 11 09:47:46 CET 2009
Andrew Voronkov wrote:
> Dear GROMACS users,
> is there a possibility to convert .gro files directly to PDB? Or I can do it only with .tpr?
> I've tried gro2pdb -f conf.gro -o conf.pdb
> but it doesn't work.
I've never heard of it, so that utility probably doesn't exist!
There's a section in the GROMACS manual that describes the general
nature of some of the utilities.
editconf (or trjconv) will do what you want
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