[CP2K:951] Re: force constants for umbrella sampling
teodor... at gmail.com
Tue Apr 15 22:00:38 UTC 2008
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
well, the only thing I can say is that some background on MD would be
adequate before starting
something complicated like umbrella sampling.
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