[gmx-users] Error in MD

[Mark Abraham]

Dhananjay joshi wrote:
>   
> Yes Mark,
> 
> You are right.
> 
> using "gmx_dump -s CORE_MTB_em.tpr | less" i found large vector of velocities (v) after the large vector of positions (x) and that they are all non-zero.
> 
> what should I do now ?

>>see if there is a large vector of velocities (v) after the large vector of positions (x) and that they are all zero. If they aren't, I suspect you haven't actually done as you describe above. 

grompp is the only thing that can be generating velocities. Check you've 
done what you think you've done.

Mark