[gmx-users] Error in MD

Mark Abraham Mark.Abraham at anu.edu.au
Tue Dec 13 07:01:29 CET 2005

Dhananjay chandrashekhar joshi wrote:
> I am beiginer in the field of MD. I was trying MD and I got following fatal error. 
> There can be a number of reasons for the 
> large velocities in your system. 
> If it happens at the beginning of the 
> simulation, your system might be not 
> equilibrated well enough (e.g. it contains 
> some bad contacts). Try a(nother) round of 
> energy minimization to fix this. 
> The I have agin tried EM. But it id of no use...

In what way...?

You will need to describe what you are doing in more detail. How are you 
generating your velocities?


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