[gmx-users] Selecting certain types of atoms from trajectory file with C++ code

[Zhikun]

Dear users,

Recently I have been trying to use "xdrfile" libray to read trajectory
".trr" file in my own C++ code. Now I can just read the coordinates of  all
atoms at each time frame. But I don't know how to select certain types of
atoms from the trajectory file. Although the graomcs tool "make_ndx" can do
this, but i need to do it with C++ codes for the purpose of further
analysis. Does someone have any experience about this? Your reply would be
greatly appreciated.

Thanks,
Zhikun