[gmx-users] "No molecules were defined in the system"

Maria Hamilton hamilton.maria39 at gmail.com
Fri May 6 18:19:26 CEST 2011

Hi all

I got .itp and .pdb files of sulfate ion from PRODRG. I add it as an extra
molecule (in genbox using -ci) my simulation box. I can see it visaully by
VMD in my system. but it is not in topol.top and when I want run my program
I receive the following error:

"No molecules were defined in the system"

The name of .itp file, its inclusion in topol.top are the same.

Would you please help me?What should I do?

Thanks alot

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