[gmx-users] Initial Temperature
georgea at ece.ubc.ca
Tue May 1 03:55:10 CEST 2007
Thanks Dallas and Mark for your replies.
Mark Abraham wrote:
> George Abadir wrote:
>> 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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