[gmx-users] Analysis of CNT in water solution
CS145331 at albany.edu
Mon Aug 6 05:56:53 CEST 2007
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
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,
College of Nanoscale Science and Engineering (CNSE)
State University of New York, Albany, New York 12203, USA
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