[gmx-users] grompp erro

[Albert]

Here are the atoms mentioned in the log file:

      1        NH2     19    THR      N      1      -0.96 14.007   ; 
qtot -0.96
      3        CT1     19    THR     CA      4       0.19 12.011   ; 
qtot -0.09
      4        CT1     19    THR     CB      6       0.14 12.011   ; 
qtot 0.14
      5        HB1     19    THR     HA      5       0.09 1.008   ; qtot 0



On 01/19/2014 09:46 PM, Justin Lemkul wrote:
>
> OK, now please provide the rest of the information I asked for in my 
> other email:
>
> "What are those atoms and what are their types?"
>
> Only you know what your topology is.  Please make it easy and 
> expedient to help us to help you!
>
> -Justin