[gmx-users] read trr file

[石锐]

Hi all,

I have generated a large .trr file (~500 G) from a simulation. To save the space, I just want to write a C/C++ code to read and manipulate the binary .trr file directly rather than convert it to a readable .gro or .pdb file. However, I cannot find the format of .trr file from the manual. Is there anyone who knows how to read the .trr file ?

Thanks,
Rui


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Rui Shi, Ph.D.
Visiting Research Fellow
Institute of Theoretical Physics
Kavli Institute for Theoretical Physics China
Chinese Academy of Sciences
55 East Zhongguancun Road, Beijing 100190, China
Email: rshi at itp.ac.cn
Tel: +86 159-0101-5707 (Cell)
    +86 10-62648753 (Office)
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