[gmx-users] help with my errors (RAHUL SURESH)

banijamali_fs banijamali_fs at ut.ac.ir
Fri Jan 19 12:29:13 CET 2018

> Hi there, 
> 1. I'm working on MOF (metal organic framewoks) structures. I'd like to
> know that if in our topology file we get a decimal figure for the qtot,
> in which step we made a mistake? and how we can rectify this? 
> 2.  Another question that I have is that when I want to run this
> command, gmx grompp -f em.mdp -c solv.gro -p topol.top -o ions.tpr, I
> get this error,Too many warnings (1), gmx terminated, I don't now how to
> rectify this error. 
> I would be very thankful if anyone could help me. 
> these are the warning that I mentioned above: 
> Warning: atom name 57 in topol.top and solv.gro does not match (CU - CU2)
> Warning: atom name 58 in topol.top and solv.gro does not match (CU - CU2)
> WARNING 1 [file topol.top, line 114]:
> 2 non-matching atom names
> atom names from topol.top will be used
> atom names from solv.gro will be ignored
> Fatemeh.

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