[gmx-users] help with my errors

banijamali_fs banijamali_fs at ut.ac.ir
Fri Jan 19 09:42:57 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. 

Fatemeh.


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