[gmx-users] Re: -dt option in g_velacc

[Jinan Niu]

On 8/08/2011 11:08 PM, Mark Abraham wrote:

>I don't quite follow your question, but for correlation functions to be
>computed accurately, you need data collected much more frequently >than
>the relevant time scales. That can require good planning.
>Mark

Hi,Mark and other gmx users：
when I used g_velacc to calculate VAF,  I found the range of frequency of the power spectrum is related with dt, so if is there is some solutions? can the complication of gmx by double decision solve it?

--

Sincerely yours 
Dr Ji-Nan Niu 
School of Materials Science and Engineering.
China University of Mining and Technology.
Jiangsu Province, XuZhou 221116
P. R. China
_____________________________________________________
Email: njn0516 at cumt.edu.cn 
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