I am trying to look at the # of water molecules within the CNT as a function of time and I was wondering if there was another app like Trjorder that maybe instead of using a group of molecules as the reference you could use coordinates i.e. the axis of the CNT, or if there is a better way to go about this?
Information on the setup; it is a 2.81700 2.81700 3.35410 box with a ( 6 , 6 ) CNT (centered in the box) and 811 spc216 molecules and it is at 300k and run for 200ps. Thank you for help, ~Christopher Stiles College of Nanoscale Science and Engineering (CNSE) State University of New York, Albany, New York 12203, USA
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