Reading .xtc files by GROMACS

User discussions
1

GROMACS version: 2020
GROMACS modification: Yes

What does GROMACS use to read information from binary files and what could I best use when programming in C++ to read information from .xtc files? I would like to read the positions of atoms from .xtc and implement appropriate algorithms for some analysis. Or maybe you know examples of some programs, preferably with a link on github, where it was done, or maybe some publication. Thank you in advance for your help.

2

Hi,
I wrote a wrapper class to xdrfile in C++, I used it for analysis. Ping me on github, if you need to.

Regards,
Masrul

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3

Thank you so much I wiil try it!