[gmx-users] Initial Temperature

George Abadir georgea at ece.ubc.ca
Tue May 1 03:55:10 CEST 2007

Thanks Dallas and Mark for your replies.
Best regards,

Mark Abraham wrote:

> 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.
> Mark
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