[adf-list]距离自相关函数与flexmd

S. Sanchez. lcqsigi在gmail.com
星期八月31日20:04:52 Cest 2015

To whom it may correspond,

I was recently reading some literature reports, in which, it was indicated
that it is possible to calculate the  "distance autocorrelation function"
with FlexMD.

In the same literature report, it was indicated that the MD data was
obtained with a software tool that is not part of ADF-suite of tools.

So, I am assuming that FlexMD being a python library will only do
post-processing of MD data having the right format. In other words, it will
take a trajectory file from a MD engine and do post-processing of a
given trajectory file. I would like to know what is right format of a
trajectory file to obtain the "distance autocorrelation function" using
FlexMD?

Thanks,
SS
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