[gmx-users] when gen_vel should be "no"

Justin A. Lemkul jalemkul at vt.edu
Wed Aug 27 11:54:34 CEST 2008

sarbani chattopadhyay wrote:
> hi,
>   I want to know that in what situation does the  initial velocity to 
> the  starting structure is to
> be kept at zero.

Zero velocity corresponds to 0 K.

If you're wondering when you should have gel_vel = yes versus gen_vel = no, 
think about what that parameter is defining.  It gives random velocities to all 
the particles in the system, with the target being gen_temp.  If you've started 
a simulation, you probably don't want to randomly re-assign the velocities, 
giving a temperature that is usually not the target :)


> thanks in advance
> sarbani
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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