[gmx-users] How to get topol.top files from DRGGMX.ITP files?

Mark Abraham Mark.Abraham at anu.edu.au
Fri Jan 30 10:06:33 CET 2009

varsha gautham wrote:
> Dear all,
> Am using Dundee prodrug server  for the simulation of polymers..I have 
> generated DRGGMX.ITP files for running gromacs simulation.How to get a 
> topology file with .top extension so that i can use it in the grompp 
> step  from this.
> I used x2top command to generate topolgy file with DRGFIN.GRO as 
> input.but its saying like "cannot find force field for 13 atoms".Please 
> help me in this issue.Thanks in advance.

Try some tutorial material (e.g. 
http://wiki.gromacs.org/index.php/Category:Tutorials) and/or check out 
the examples in Chapter 5 of the manual.

Forget about PRODRG and x2top until you understand the basics.


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