[gmx-users] Dummy Problem.

[Mark Abraham]

Anthony Cruz wrote:
> Hi Users:
> 

> In my topology before all the bonded information I add the following lines 
> with the appropiate numbers:
> 
>  [ dummies2 ]
> ;Dummy      from       funct    a
>   CON    ND    OE       1       0.064381
> 
> [ constraint ]
> ;  ai  aj funct           b0
> ND      OE	2	   0.12032
> 
> The problem is that the dummy colapse with the ND atom during the EM.  What 
> could be the problem?  I need to add the dummies2 section in my topology if 
> it is present in the residue topology and it is present in my pdb???

Does it work without the constraint?

Mark