[gmx-users] merging and renumbering topology atoms

christoph.nimptsch at uni-tuebingen.de christoph.nimptsch at uni-tuebingen.de
Mon Oct 27 12:26:01 CET 2003


I created a ligand with PRODRG and now I want to define distance constraints.
As far as I know gromacs expects all atoms in one file. 
So, my idea was to renumber the atoms in the topology DRGGMX.ITP and include
it in protein.top.

Is there any programm, that can do the renumbering? Or is there a switch in
PRODRG, which forces the atoms to be numbered from a certain number?

Thanks in advance,


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