[gmx-users] editconf 2 warning

Mark Abraham Mark.Abraham at anu.edu.au
Mon Apr 6 10:16:59 CEST 2009


Homa Azizian wrote:
> Hi
> These 2 warning appeared after I did editconf for Drug-Protein Complex.
>   
> WARNING: masses will be determined based on residue and atom names,
>          this can deviate from the real mass of the atom type
> 
> 
> WARNING: vdwradii will be determined based on residue and atom names,
>          this can deviate from the real mass of the atom type
> Could I ignor these and continue?

We can't tell, since we don't know what your residue and atom names are. 
You should look at these and compare with the entries in your force 
field's .atp file.

Mark



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