[gmx-users] pdb file from prodrg2 cannot be recognized by gromacs?

Mark Abraham Mark.Abraham at anu.edu.au
Wed Sep 5 06:08:00 CEST 2007


Yafei Dai wrote:
> I got a pdb file from prodrg2 and I did pdb2gmx:
> 
> pdb2gmx -f test.pdb -p test.top -o test.gro
> 
> I was told "DRG" not found in residue topology. What can I do for this error information? My pdb file is as below:

http://wiki.gromacs.org/index.php/Errors#Residue_.27XXX.27_not_found_in_residue_topology_database

pdb2gmx generates topology files from structure files. It sounds like 
you should explore some tutorial material - or use the topology file you 
got from PRODRG2!

Mark



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