[gmx-users] Re: -dt option in g_velacc
njn0516 at 163.com
Thu Aug 11 16:30:26 CEST 2011
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.
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?
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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