[gmx-users] Initial Temperature

Mark Abraham Mark.Abraham at anu.edu.au
Tue May 1 03:35:27 CEST 2007

George Abadir wrote:
> Hi,
>     When I do a Berendsen temperature coupling , I set the reference 
> tepmerature to 300K. However, the log file says the initial temperature 
> is 0K. Why does this happen and how can one control the initial 
> temperature?

Temperature is a function of molecular velocities. See manual section 
7.3, in particular gen_vel.


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