[gmx-users] Error in MD

Dhananjay chandrashekhar joshi joshidc_in1 at rediffmail.com
Tue Dec 13 06:48:53 CET 2005

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...

Could any tell me how to fix this error ?

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