[gmx-users] Re: "No molecules were defined in the system"
vvchaban at gmail.com
Fri May 6 18:50:44 CEST 2011
> 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.
Show us your "[ system ]" subsection of the topology.
Dr. Vitaly V. Chaban, Department of Chemistry
University of Rochester, Rochester, New York 14627-0216
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