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

[Justin A. Lemkul]

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 :)

-Justin

> thanks in advance
> sarbani
> 
> 
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================