[gmx-users] Re: simulating with air

[Andy Shelley]

I am currently just trying to get 1 molecule to work.
So I added the morse potential to ffgmxbon.itp as:

[ bondtypes ]
  ; i    j func        b0          kb
    N    N    3   0.10980     943.0433    0.2642

and received this error message after using x2top with an ENCAD force field

Fatal error: No forcefield type for atom N (1) with 1 bonds

Any ideas on what might be causing the error. I am also using GROMACS 3.3.1.

Thanks,
Andy
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