[gmx-users] Problem with Atom type

[Anton Feenstra]

Dastmalchi wrote:
> Hi,
> 
> Thanks for David, but I am stile getting the same message.
> Any further suggestion?

Atom types are defined in the ff*nb.itp files (e.g. ffG43a1.itp or ffgmx.itp).
There is a section '[ atomtypes ]', it you add MO there, it will work.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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