Hello Everybody,
I am using Discover Module for my MD Simulations.
The temperature which I give as input is 423K but in the output of Temperature vs. Simulation Time (As attached file “Simulation Temperature.bmp”) the average temperature is around 280K.
This is happening when I select Andersen Thermostat.
I tried with other modules and selecting other thermostats, there it is fine.
But with the Andersen Thermostat the Strange output for the
Temperature vs. Simulation Time!!!!!!!
Please Help Me on This Issue……….
Thanks in Advance
Anant