Thanks Dallas and Mark for your replies.
Best regards,
George
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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