[gmx-users] problem in simulation of DNA-protein complex

Mark Abraham Mark.Abraham at anu.edu.au
Wed May 13 09:58:56 CEST 2009


nitu sharma wrote:
> Dear all
> 
>                     I  am getting problem in running pdb2gmx command on 
> DNA_protein file . The prblem is 
> --------------------------------------------------------
> Program pdb2gmx, VERSION 4.0.3
> Source code file: resall.c, line: 426
> 
> Fatal error:
> Residue 'T' not found in residue topology database
> 
> So , actually I am unable to understand what should I do to solve this .
> 
> Is it possible to get DNA.itp file from anywhere .If anyone have Idea 
> about this please help me.

Yes. Search the wiki for this error. Read chapter 5 of the manual. 
Describe your problem more fully. You haven't even told us your command 
line or forcefield :-) Read the page linked at the bottom of 
http://wiki.gromacs.org/index.php/Support

Mark



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