[gmx-users] How to save the coordinates of all atoms in the 2D-arrays using xdrfile?
xiaowu759 at qq.com
Sat Nov 27 14:12:30 CET 2010
I am trying to perform an analysis on the trjectory file using xdrfile library. First of all, I want to save the coordinates of all atoms in three 2D-arrays, i.e. xx[step-1][natom-1], yy[step-1][natom-1], zz[step-1][natom-1]. How to do so? Could you give me some hints, please? If you had happened to do so, could you kindly send the code to me? Thanks a lot.
Chaofu Wu, Dr.
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