[CP2K:951] Re: force constants for umbrella sampling

[Teodoro Laino]

On 15 Apr 2008, at 23:58, Ali wrote:

>  I have been using NVE with velocity rescaling so I do know
> the average T of my system is where I want it to be.

Do you think this is a thermostat?

>
> You will probably tell me that CSVR is probably the better way to go
> right?
well, the only thing I can say is that some background on MD would be  
adequate before starting
something complicated like umbrella sampling.

Teo
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