[gmx-users] a basic question

Mark Abraham Mark.Abraham at anu.edu.au
Sat Aug 11 08:05:25 CEST 2007

Q733 wrote:
> Hello everyone, I met with a problem today. I tried to simulate dppc 
> lipid in water.However, when I want to minimize energy ,the grompp 
> showed the error message like this: "number of coordinates in coordinate 
> file (box.gro 8253 ) doesn't match  topology ( topol.top , 0 ).
> I have used gromacs for sometime and checked the topology and itp file 
> carefully , but can't find out the problem.can anyone help me ?

Check out

> here is the topology file,and I have added the ffgmx forcefield into 
> "lipid1.itp"
> #include "lipid1.itp"
> #include "dppc.itp"

Don't do this. To make sure you #include only one force field in a .top
with multiple .itp #includes, do the #include from your .top file, not
your .itp files.


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