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: njn0...@cumt.edu.cn
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