[gmx-users] 1-4 interactions

[Anton Feenstra]

Pedro Alexandre Lapido Loureiro wrote:
> Dear GMX users,
> 
> I am implementing a lipid force field. 
> When I run mdrun, there is a warning saying
> 
> "Warning: 1-4 interaction at distance larger than 1
> These are ignored for the rest of the simulation"
> 
> I am confused. 
> What does it mean?

You either have an error in your topology, or in your starting
conformation. 1-4 interactions are interactions between atoms
separated by three bonds (hence 1-2-3-4 atoms, 1-4 interaction).
These must often be treated differently from other interactions
because of steric interactions in combination with dihedral
movement.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
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